| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 30th, 2005 | 25 | No |
Popular Name: 5-methyl-2-(4-nitrophenyl)-4-(4-piperidylmethylaminomethylene)pyrazol-3-one 5-methyl-2-(4-nitrophenyl)-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) | 1.91 | -3.19 | -48.28 | 2 | 8 | 1 | 107 | 344.395 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.91 | -1.94 | -111.44 | 3 | 8 | 2 | 109 | 345.403 | 5 | ↓ |
