| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 1st, 2009 | 29 | Yes |
Popular Name: 4-benzoyl-1,2-bis(4-chlorophenyl)-5-hydroxy-pyrazol-3-one 4-benzoyl-1,2-bis(4-chlorophenyl…
| 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) | 5.09 | 11.51 | -46.46 | 0 | 5 | -1 | 67 | 424.263 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MURB-1-B | UDP-N-acetylmuramate Dehydrogenase (cluster #1 Of 1), Bacterial | Bacteria | 9800 | 0.24 | Binding ≤ 10μM |
| Z50186-2-O | Staphylococcus Epidermidis (cluster #2 Of 2), Other | Other | 780 | 0.29 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MURB_ECOLI | P08373 | UDP-N-acetylmuramate Dehydrogenase, Ecoli | 9800 | 0.24 | Binding ≤ 10μM |
| Z50186 | Z50186 | Staphylococcus Epidermidis | 780 | 0.29 | Functional ≤ 10μM |
