| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 4th, 2005 | 23 | Yes |
Popular Name: 1-cyclohexyl-N-(3,5-difluorophenyl)-5-oxo-pyrrolidine-3-carboxamide 1-cyclohexyl-N-(3,5-difluorophen…
| 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) | 3.13 | 0.59 | -12.4 | 1 | 4 | 0 | 49 | 322.355 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| INHA-2-B | Enoyl-[acyl-carrier-protein] Reductase (cluster #2 Of 4), Bacterial | Bacteria | 1490 | 0.35 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| INHA_MYCTU | P0A5Y6 | Enoyl-[acyl-carrier-protein] Reductase, Myctu | 1490 | 0.35 | Binding ≤ 10μM |
