| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 14th, 2010 | 26 | Yes |
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 4.07 | 7.37 | -49.18 | 2 | 6 | -1 | 99 | 348.334 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| FABH-1-B | Beta-ketoacyl-ACP Synthase III (cluster #1 Of 2), Bacterial | Bacteria | 410 | 0.34 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| FABH_ENTFA | Q820T1 | Beta-ketoacyl-ACP Synthase III, Entfa | 410.204103 | 0.34 | Binding ≤ 1μM |
| FABH_ENTFA | Q820T1 | Beta-ketoacyl-ACP Synthase III, Entfa | 410.204103 | 0.34 | Binding ≤ 10μM |
