Overview
Basic information about this protein and its source genome.
- Accession
- KP13_31941
- Gene
- AHE46347.1 ftsW
- Status
- annotated
- Amino acids
- 424
- Structure source
- AlphaFold + ColabFold
Target profile
Computed evidence for target prioritization.
- Human off-target
- No hit
- Human identity (%)
- 0.0
- Gut microbiome off-target
- hit
- Essential (DEG)
- Y
- DEG identity (%)
- 92.494
- DEG E-value
- 0.0
- Localization
- CytoplasmicMembrane
- ColabFold pLDDT
- 83.4
Selected Druggability evidence
AlphaFold / UniProt modelSelected Druggability is the FPocket score chosen for ranking using the curated structure priority. The 3D viewer may show a different loaded structure, so its visible pockets can differ.
Sequence
Primary amino-acid sequence viewer.
Functional Annotations
Enzyme classification and Gene Ontology terms linked to this protein.
Enzyme Commission (EC)
1Gene Ontology (GO)
10- GO:0016020 A lipid bilayer along with all the proteins and protein complexes embedded in it and attached to it.
- GO:0009252 The chemical reactions and pathways resulting in the formation of peptidoglycans, any of a class of glycoconjugates found in bacterial cell walls and consisting of long glycan strands of alternating residues of beta-(1,4) linked N-acetylglucosamine and N-acetylmuramic acid, cross-linked by short peptides.
- GO:0051301 The process resulting in division and partitioning of components of a cell to form more cells; may or may not be accompanied by the physical separation of a cell into distinct, individually membrane-bounded daughter cells.
- GO:0032153 The eventual plane of cell division (also known as cell cleavage or cytokinesis) in a dividing cell. In Eukaryotes, the cleavage apparatus, composed of septin structures and the actomyosin contractile ring, forms along this plane, and the mitotic, or meiotic, spindle is aligned perpendicular to the division plane. In bacteria, the cell division site is generally located at mid-cell and is the site at which the cytoskeletal structure, the Z-ring, assembles.
- GO:0005886 The membrane surrounding a cell that separates the cell from its external environment. It consists of a phospholipid bilayer and associated proteins.
- GO:0015648 Enables the directed movement of lipid-linked peptidoglycans into, out of or within a cell, or between cells.
- GO:0008955 Catalysis of the reaction: [GlcNAc-(1->4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)](n)-di-trans,octa-cis-undecaprenyl diphosphate + beta-D-GlcNAc-(1->4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-di-trans,octa-cis-undecaprenyl diphosphate = [GlcNAc-(1->4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)](n+1)-di-trans-octa-cis-undecaprenyl diphosphate + di-trans,octa-cis-undecaprenyl diphosphate + H+.
- GO:0071555 A process that results in the assembly, arrangement of constituent parts, or disassembly of the cell wall, the rigid or semi-rigid envelope lying outside the cell membrane of plant, fungal and most prokaryotic cells, maintaining their shape and protecting them from osmotic lysis.
- GO:0043093 A cytokinesis process that involves a set of conserved proteins including FtsZ, and results in the formation of two similarly sized and shaped cells.
- GO:0008360 Any process that modulates the surface configuration of a cell.
Sequence Features
Domain/signature hits from InterPro and related databases.
Show feature table
| Start | End | DB | Term | Name |
|---|---|---|---|---|
| 375 | 385 | Phobius | NON_CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region. |
| 351 | 373 | TMHMM | TMhelix | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 57 | 76 | TMHMM | TMhelix | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 383 | 405 | TMHMM | TMhelix | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 96 | 113 | Phobius | TRANSMEMBRANE | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 1 | 19 | Phobius | NON_CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region. |
| 317 | 338 | Phobius | TRANSMEMBRANE | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 210 | 227 | Phobius | TRANSMEMBRANE | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 205 | 209 | Phobius | NON_CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region. |
| 185 | 204 | TMHMM | TMhelix | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 176 | 186 | Phobius | CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm. |
| 317 | 339 | TMHMM | TMhelix | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 37 | 56 | Phobius | CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm. |
| 187 | 204 | Phobius | TRANSMEMBRANE | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 57 | 76 | Phobius | TRANSMEMBRANE | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 208 | 227 | TMHMM | TMhelix | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 57 | 412 | Pfam | PF01098 | Cell cycle protein |
| 57 | 412 | InterPro | IPR001182 | Probable peptidoglycan glycosyltransferase FtsW/RodA |
| 77 | 95 | Phobius | NON_CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region. |
| 55 | 410 | NCBIfam | TIGR02614 | putative lipid II flippase FtsW |
| 55 | 410 | InterPro | IPR013437 | Probable peptidoglycan glycosyltransferase FtsW |
| 114 | 124 | Phobius | CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm. |
| 386 | 405 | Phobius | TRANSMEMBRANE | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 232 | 249 | Phobius | TRANSMEMBRANE | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 151 | 155 | Phobius | NON_CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region. |
| 20 | 42 | TMHMM | TMhelix | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 53 | 420 | Hamap | MF_00913 | Probable peptidoglycan glycosyltransferase FtsW [ftsW]. |
| 53 | 420 | InterPro | IPR013437 | Probable peptidoglycan glycosyltransferase FtsW |
| 406 | 424 | Phobius | CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm. |
| 156 | 175 | Phobius | TRANSMEMBRANE | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 125 | 150 | Phobius | TRANSMEMBRANE | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 250 | 316 | Phobius | NON_CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region. |
| 339 | 349 | Phobius | CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm. |
| 49 | 415 | PANTHER | PTHR30474 | CELL CYCLE PROTEIN |
| 49 | 415 | InterPro | IPR001182 | Probable peptidoglycan glycosyltransferase FtsW/RodA |
| 369 | 393 | ProSitePatterns | PS00428 | Cell cycle proteins ftsW / rodA / spoVE signature. |
| 369 | 393 | InterPro | IPR018365 | Cell cycle, FtsW / RodA / SpoVE, conserved site |
| 20 | 36 | Phobius | TRANSMEMBRANE | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 228 | 231 | Phobius | CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm. |
| 232 | 254 | TMHMM | TMhelix | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 350 | 374 | Phobius | TRANSMEMBRANE | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 123 | 145 | TMHMM | TMhelix | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 96 | 113 | TMHMM | TMhelix | Region of a membrane-bound protein predicted to be embedded in the membrane. |
3D Structure
Selected loaded structure. Experimental PDB entries may cover only a portion of the sequence; predicted models typically cover the full protein.
Loading 3D structure...
Structural evidence
0 + 2Experimental PDB entries and predicted models. Click Switch to display a different structure in the viewer.
| Entry | Method | Resolution | Chain | Coverage | Links | Status |
|---|---|---|---|---|---|---|
|
AlphaFold
AF_A0A0H3GN92
|
AlphaFold | — | — | full sequence | — | Viewing |
|
ColabFold
KP13_31941
|
ColabFold | — | — | full sequence | — | Loaded |
Pocket details FPocket · P2Rank — toggle visibility and zoom from here, or open full viewer
Pockets (FPOCKET)
Showing top-ranked FPocket candidates by druggability. Druggability is color-coded: high (0.7 or higher), medium (0.4 to 0.69), low (below 0.4).
| FPOCKET | Sticks | Spheres | Surfaces | Druggability | Labels | Zoom | Positions |
|---|---|---|---|---|---|---|---|
| 31 | 0.996 | ||||||
| 12 | 0.39 |
Pockets (P2RANK)
Showing top-ranked P2Rank candidates by probability. Probability is color-coded per P2Rank calibration: high (≥ 0.5), medium (0.2 – 0.49), low (< 0.2).
| P2RANK | Sticks | Spheres | Surfaces | Score | Probability | Labels | Zoom | Positions |
|---|---|---|---|---|---|---|---|---|
| 1 | 13.54 | 0.69 | ||||||
| 2 | 12.36 | 0.648 | ||||||
| 3 | 12.25 | 0.644 | ||||||
| 4 | 5.86 | 0.287 | ||||||
| 5 | 3.59 | 0.133 |
Pockets (FPOCKET)
Showing top-ranked FPocket candidates by druggability. Druggability is color-coded: high (0.7 or higher), medium (0.4 to 0.69), low (below 0.4).
| FPOCKET | Sticks | Spheres | Surfaces | Druggability | Labels | Zoom | Positions |
|---|---|---|---|---|---|---|---|
| 30 | 0.995 | ||||||
| 27 | 0.239 |
Pockets (P2RANK)
Showing top-ranked P2Rank candidates by probability. Probability is color-coded per P2Rank calibration: high (≥ 0.5), medium (0.2 – 0.49), low (< 0.2).
| P2RANK | Sticks | Spheres | Surfaces | Score | Probability | Labels | Zoom | Positions |
|---|---|---|---|---|---|---|---|---|
| 1 | 15.68 | 0.759 | ||||||
| 2 | 11.83 | 0.627 | ||||||
| 3 | 10.01 | 0.538 | ||||||
| 4 | 6.44 | 0.325 | ||||||
| 5 | 3.39 | 0.121 |
Ligand evidence
Ligands grouped by evidence source. PDB ligands keep the source crystal visible, and loaded crystals can be opened directly in the structure viewer.
Highest-confidence structural evidence: ligands co-crystallized with this exact protein. If the source PDB is loaded in TPW, use Open crystal to inspect it in the structure viewer.
No PDB structure with a co-crystallized ligand found for this exact protein.
Structural evidence inferred from similar proteins. The source crystal indicates where the ligand was observed; the UniProt column identifies the homologous protein carrying that ligand.
| Ligand | Source crystal | UniProt (homolog) | MW · LogP · TPSA | Lipinski | PAINS | SMILES |
|---|---|---|---|---|---|---|
| OLC | Q5SIX3 | 356.5 Da LogP 4.92 TPSA 66.8 | ✓ Ro5 | ✓ Clean |
CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@@H](CO)O
|
Experimental bioactivity from ChEMBL measured directly on this protein. Score = pchembl (−log Ki/IC₅₀; higher = more potent).
No ChEMBL bioactivity data found for this exact protein.
Bioactivity inferred from similar proteins in ChEMBL. Score = pchembl (−log Ki/IC₅₀; higher = more potent).
No ChEMBL hits found through similar proteins.
Proposed virtual-screening candidates from ZINC. Score = Tanimoto similarity to a known binder (0–1; higher = more similar).
| Ligand | Tanimoto | MW · LogP · TPSA | Lipinski | PAINS | SMILES |
|---|---|---|---|---|---|
| ZINC1501016272 | 1.000 | 328.5 Da LogP 4.14 TPSA 66.8 | ✓ Ro5 | ✓ Clean |
CCCCCCC/C=C\CCCCCCC(=O)OC[C@H](O)CO
|
| ZINC1501016273 | 1.000 | 328.5 Da LogP 4.14 TPSA 66.8 | ✓ Ro5 | ✓ Clean |
CCCCCCC/C=C\CCCCCCC(=O)OC[C@@H](O)CO
|
| ZINC1501016315 | 1.000 | 314.5 Da LogP 3.75 TPSA 66.8 | ✓ Ro5 | ✓ Clean |
CCCCCC/C=C\CCCCCCC(=O)OC[C@@H](O)CO
|
| ZINC1501016316 | 1.000 | 314.5 Da LogP 3.75 TPSA 66.8 | ✓ Ro5 | ✓ Clean |
CCCCCC/C=C\CCCCCCC(=O)OC[C@H](O)CO
|
| ZINC2038077522 | 1.000 | 356.5 Da LogP 4.92 TPSA 66.8 | ✓ Ro5 | ✓ Clean |
CCCCCCCCC=CCCCCCCCC(=O)OC[C@@H](O)CO
|
| ZINC2038077523 | 1.000 | 356.5 Da LogP 4.92 TPSA 66.8 | ✓ Ro5 | ✓ Clean |
CCCCCCCCC=CCCCCCCCC(=O)OC[C@H](O)CO
|
| ZINC221534416 | 1.000 | 328.5 Da LogP 4.14 TPSA 66.8 | ✓ Ro5 | ✓ Clean |
CCCCCCCC/C=C\CCCCCC(=O)OC[C@@H](O)CO
|
| ZINC32840893 | 1.000 | 328.5 Da LogP 4.14 TPSA 66.8 | ✓ Ro5 | ✓ Clean |
CCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)CO
|
| ZINC32840894 | 1.000 | 328.5 Da LogP 4.14 TPSA 66.8 | ✓ Ro5 | ✓ Clean |
CCCCCC/C=C/CCCCCCCC(=O)OC[C@@H](O)CO
|
| ZINC32840895 | 1.000 | 328.5 Da LogP 4.14 TPSA 66.8 | ✓ Ro5 | ✓ Clean |
CCCCCC/C=C\CCCCCCCC(=O)OC[C@H](O)CO
|
| ZINC32840896 | 1.000 | 328.5 Da LogP 4.14 TPSA 66.8 | ✓ Ro5 | ✓ Clean |
CCCCCC/C=C/CCCCCCCC(=O)OC[C@H](O)CO
|
| ZINC32840901 | 1.000 | 356.5 Da LogP 4.92 TPSA 66.8 | ✓ Ro5 | ✓ Clean |
CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)CO
|
| ZINC32840902 | 1.000 | 356.5 Da LogP 4.92 TPSA 66.8 | ✓ Ro5 | ✓ Clean |
CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@@H](O)CO
|
| ZINC32840903 | 1.000 | 356.5 Da LogP 4.92 TPSA 66.8 | ✓ Ro5 | ✓ Clean |
CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](O)CO
|
| ZINC32840904 | 1.000 | 356.5 Da LogP 4.92 TPSA 66.8 | ✓ Ro5 | ✓ Clean |
CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@H](O)CO
|
| ZINC725433050 | 1.000 | 342.5 Da LogP 4.53 TPSA 66.8 | ✓ Ro5 | ✓ Clean |
CCCCCCCC/C=C\CCCCCCC(=O)OC[C@@H](O)CO
|
| ZINC725433052 | 1.000 | 342.5 Da LogP 4.53 TPSA 66.8 | ✓ Ro5 | ✓ Clean |
CCCCCCCC/C=C\CCCCCCC(=O)OC[C@H](O)CO
|
| ZINC98208566 | 1.000 | 328.5 Da LogP 4.14 TPSA 66.8 | ✓ Ro5 | ✓ Clean |
CCCCCCCC/C=C\CCCCCC(=O)OC[C@H](O)CO
|
| ZINC32840885 | 0.943 | 300.4 Da LogP 3.36 TPSA 66.8 | ✓ Ro5 | ✓ Clean |
CCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)CO
|
| ZINC2053467566 | 0.919 | 354.5 Da LogP 4.70 TPSA 66.8 | ✓ Ro5 | ✓ Clean |
CCCCCC=CCC=CCCCCCCCC(=O)OC[C@@H](O)CO
|
| ZINC2053467567 | 0.919 | 354.5 Da LogP 4.70 TPSA 66.8 | ✓ Ro5 | ✓ Clean |
CCCCCC=CCC=CCCCCCCCC(=O)OC[C@H](O)CO
|
| ZINC29045599 | 0.919 | 354.5 Da LogP 4.70 TPSA 66.8 | ✓ Ro5 | ✓ Clean |
CCCCC/C=C/C/C=C\CCCCCCCC(=O)OC[C@H](O)CO
|
| ZINC4557100 | 0.919 | 354.5 Da LogP 4.70 TPSA 66.8 | ✓ Ro5 | ✓ Clean |
CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](O)CO
|
| ZINC4557101 | 0.919 | 354.5 Da LogP 4.70 TPSA 66.8 | ✓ Ro5 | ✓ Clean |
CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](O)CO
|
| ZINC5819989 | 0.919 | 354.5 Da LogP 4.70 TPSA 66.8 | ✓ Ro5 | ✓ Clean |
CCCCC/C=C/C/C=C/CCCCCCCC(=O)OC[C@H](O)CO
|
| ZINC5819990 | 0.919 | 354.5 Da LogP 4.70 TPSA 66.8 | ✓ Ro5 | ✓ Clean |
CCCCC/C=C/C/C=C/CCCCCCCC(=O)OC[C@@H](O)CO
|
| ZINC85425978 | 0.919 | 354.5 Da LogP 4.70 TPSA 66.8 | ✓ Ro5 | ✓ Clean |
CCCCC/C=C\C/C=C/CCCCCCCC(=O)OC[C@H](O)CO
|
| ZINC29045446 | 0.892 | 352.5 Da LogP 4.47 TPSA 66.8 | ✓ Ro5 | ✓ Clean |
CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@@H](O)CO
|
| ZINC13532428 | 0.829 | 372.5 Da LogP 3.89 TPSA 87.0 | ✓ Ro5 | ✓ Clean |
CCCCCC[C@@H](O)C/C=C\CCCCCCCC(=O)OC[C@@H](O)CO
|
| ZINC13532431 | 0.829 | 372.5 Da LogP 3.89 TPSA 87.0 | ✓ Ro5 | ✓ Clean |
CCCCCC[C@@H](O)C/C=C/CCCCCCCC(=O)OC[C@@H](O)CO
|
| ZINC13532435 | 0.829 | 372.5 Da LogP 3.89 TPSA 87.0 | ✓ Ro5 | ✓ Clean |
CCCCCC[C@H](O)C/C=C\CCCCCCCC(=O)OC[C@@H](O)CO
|
| ZINC13546140 | 0.829 | 372.5 Da LogP 3.89 TPSA 87.0 | ✓ Ro5 | ✓ Clean |
CCCCCC[C@@H](O)C/C=C\CCCCCCCC(=O)OC[C@H](O)CO
|
| ZINC13546141 | 0.829 | 372.5 Da LogP 3.89 TPSA 87.0 | ✓ Ro5 | ✓ Clean |
CCCCCC[C@@H](O)C/C=C/CCCCCCCC(=O)OC[C@H](O)CO
|
| ZINC2296552808 | 0.829 | 372.5 Da LogP 3.89 TPSA 87.0 | ✓ Ro5 | ✓ Clean |
CCCCCC[C@H](O)CC=CCCCCCCCC(=O)OC[C@H](O)CO
|
| ZINC2296552809 | 0.829 | 372.5 Da LogP 3.89 TPSA 87.0 | ✓ Ro5 | ✓ Clean |
CCCCCC[C@@H](O)CC=CCCCCCCCC(=O)OC[C@H](O)CO
|
| ZINC33832849 | 0.829 | 372.5 Da LogP 3.89 TPSA 87.0 | ✓ Ro5 | ✓ Clean |
CCCCCC[C@H](O)C/C=C\CCCCCCCC(=O)OC[C@H](O)CO
|
| ZINC35052109 | 0.829 | 372.5 Da LogP 3.89 TPSA 87.0 | ✓ Ro5 | ✓ Clean |
CCCCCC[C@H](O)C/C=C/CCCCCCCC(=O)OC[C@H](O)CO
|
| ZINC4411072 | 0.829 | 372.5 Da LogP 3.89 TPSA 87.0 | ✓ Ro5 | ✓ Clean |
CCCCCC[C@H](O)CC=CCCCCCCCC(=O)OC[C@@H](O)CO
|
| ZINC4411074 | 0.829 | 372.5 Da LogP 3.89 TPSA 87.0 | ✓ Ro5 | ✓ Clean |
CCCCCC[C@@H](O)CC=CCCCCCCCC(=O)OC[C@@H](O)CO
|
| ZINC2516269 | 0.824 | 246.3 Da LogP 2.02 TPSA 66.8 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCC(=O)OC[C@H](O)CO
|
| ZINC32840883 | 0.824 | 302.5 Da LogP 3.58 TPSA 66.8 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCCCC(=O)OC[C@@H](O)CO
|
| ZINC32840884 | 0.824 | 302.5 Da LogP 3.58 TPSA 66.8 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCCCC(=O)OC[C@H](O)CO
|
| ZINC32840889 | 0.824 | 316.5 Da LogP 3.97 TPSA 66.8 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCCCCC(=O)OC[C@@H](O)CO
|
| ZINC32840890 | 0.824 | 316.5 Da LogP 3.97 TPSA 66.8 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCCCCC(=O)OC[C@H](O)CO
|
| ZINC32840891 | 0.824 | 330.5 Da LogP 4.36 TPSA 66.8 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)CO
|
| ZINC32840892 | 0.824 | 330.5 Da LogP 4.36 TPSA 66.8 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCCCCCC(=O)OC[C@H](O)CO
|
| ZINC72400435 | 0.824 | 344.5 Da LogP 4.75 TPSA 66.8 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)CO
|
| ZINC77313111 | 0.824 | 344.5 Da LogP 4.75 TPSA 66.8 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCCCCCCC(=O)OC[C@H](O)CO
|
| ZINC8437476 | 0.824 | 274.4 Da LogP 2.80 TPSA 66.8 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCC(=O)OC[C@H](O)CO
|
| ZINC8437478 | 0.824 | 274.4 Da LogP 2.80 TPSA 66.8 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCC(=O)OC[C@@H](O)CO
|
PDB and ChEMBL records on this protein are shown in full. ChEMBL records from similar proteins are capped at the top 100 per protein (by pchembl) and ZINC at the top 50 (Tanimoto ≥ 0.5). ADME columns are descriptor-based screening flags, not experimental toxicity results.