| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 5th, 2005 | 29 | No |
Popular Name: 5-methyl-2-(4-nitrophenyl)-4-[(1-propanoyl-4-piperidyl)methylaminomethylene]pyrazol-3-one 5-methyl-2-(4-nitrophenyl)-4-[(1…
| 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) | 1.99 | 9.61 | -25.96 | 1 | 9 | 0 | 113 | 399.451 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.71 | -0.45 | -65.17 | 1 | 9 | 1 | 112 | 400.459 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.71 | -0.45 | -65.17 | 1 | 9 | 1 | 112 | 400.459 | 6 | ↓ |
