| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 17th, 2006 | 30 | No |
Popular Name: 2-(4-nitrophenyl)-5-phenyl-4-(4-piperidylmethylaminomethylene)pyrazol-3-one 2-(4-nitrophenyl)-5-phenyl-4-(4-…
| 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 | -3.5 | -46.53 | 2 | 8 | 1 | 107 | 406.466 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.13 | -2.03 | -110.35 | 3 | 8 | 2 | 109 | 407.474 | 6 | ↓ |
