| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 2nd, 2009 | 31 | Yes |
Popular Name: 1,2-bis(4-chlorophenyl)-5-hydroxy-4-(4-methoxybenzoyl)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) | 5.15 | 10.82 | -45.2 | 0 | 6 | -1 | 76 | 454.289 | 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 | 10000 | 0.23 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MURB_ECOLI | P08373 | UDP-N-acetylmuramate Dehydrogenase, Ecoli | 10000 | 0.23 | Binding ≤ 10μM |
