| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2008 | 23 | No |
Popular Name: (4-benzylpiperazin-1-yl)-(4-nitro-2H-pyrazol-3-yl)methanone (4-benzylpiperazin-1-yl)-(4-nitr…
| 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) | 1.17 | 6.16 | -33.77 | 0 | 8 | -1 | 96 | 314.325 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.17 | 8.37 | -55.61 | 2 | 8 | 1 | 99 | 316.341 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.17 | 4.87 | -9.63 | 1 | 8 | 0 | 98 | 315.333 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.17 | 6.14 | -33.74 | 0 | 8 | -1 | 96 | 314.325 | 4 | ↓ |
