| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 2nd, 2009 | 35 | Yes |
Popular Name: 1,2-bis(4-chlorophenyl)-5-hydroxy-4-(4-phenylbenzoyl)pyrazol-3-one 1,2-bis(4-chlorophenyl)-5-hydrox…
| 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) | 6.89 | 14.92 | -46.47 | 0 | 5 | -1 | 67 | 500.361 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MURB-1-B | UDP-N-acetylmuramate Dehydrogenase (cluster #1 Of 1), Bacterial | Bacteria | 6100 | 0.21 | Binding ≤ 10μM |
| Z50186-2-O | Staphylococcus Epidermidis (cluster #2 Of 2), Other | Other | 4900 | 0.21 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MURB_ECOLI | P08373 | UDP-N-acetylmuramate Dehydrogenase, Ecoli | 6100 | 0.21 | Binding ≤ 10μM |
| Z50186 | Z50186 | Staphylococcus Epidermidis | 4900 | 0.21 | Functional ≤ 10μM |
