| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 21 | 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) | 1.23 | -0.88 | -18.69 | 3 | 6 | 0 | 104 | 307.327 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.23 | -0.16 | -48.88 | 2 | 6 | -1 | 107 | 306.319 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| FABH-2-B | Beta-ketoacyl-ACP Synthase III (cluster #2 Of 2), Bacterial | Bacteria | 31 | 0.50 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| FABH_MYCTU | P0A574 | 3-oxoacyl-[acyl-carrier-protein] Synthase III, Myctu | 31.4 | 0.50 | Binding ≤ 1μM |
| FABH_MYCTU | P0A574 | 3-oxoacyl-[acyl-carrier-protein] Synthase III, Myctu | 31.4 | 0.50 | Binding ≤ 10μM |
