| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 18th, 2008 | 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) | 3.77 | 11.31 | -10.63 | 0 | 3 | 0 | 27 | 278.355 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.77 | 11.76 | -38.25 | 1 | 3 | 1 | 28 | 279.363 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| FABI-1-B | Enoyl-[acyl-carrier-protein] Reductase (cluster #1 Of 2), Bacterial | Bacteria | 3920 | 0.36 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| FABI_ECOLI | P0AEK4 | Enoyl-[acyl-carrier-protein] Reductase, Ecoli | 360 | 0.43 | Binding ≤ 1μM |
| FABI_ECOLI | P0AEK4 | Enoyl-[acyl-carrier-protein] Reductase, Ecoli | 360 | 0.43 | Binding ≤ 10μM |
