| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 18th, 2006 | 20 | 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) | 3.32 | 2.15 | -10.62 | 0 | 3 | 0 | 27 | 264.328 | 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 | 5280 | 0.37 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| FABI_ECOLI | P0AEK4 | Enoyl-[acyl-carrier-protein] Reductase, Ecoli | 1130 | 0.42 | Binding ≤ 10μM |
