| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 17th, 2006 | 30 | No |
Popular Name: 2-(4-nitrophenyl)-5-phenyl-4-(3-pyridylmethylaminomethylene)pyrazol-3-one 2-(4-nitrophenyl)-5-phenyl-4-(3-…
| 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) | 2.60 | 10.55 | -19.83 | 1 | 8 | 0 | 106 | 399.41 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.08 | -0.39 | -49.7 | 1 | 8 | 1 | 105 | 400.418 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.60 | 11.13 | -57.81 | 2 | 8 | 1 | 107 | 400.418 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.60 | 11.02 | -54.33 | 2 | 8 | 1 | 107 | 400.418 | 6 | ↓ |
