| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 12th, 2008 | 23 | No |
Popular Name: 1-methyl-4-[1-[(2-nitrophenyl)methyl]-4-piperidyl]piperazine 1-methyl-4-[1-[(2-nitrophenyl)me…
| 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) | 1.96 | 9.42 | -87.12 | 2 | 6 | 2 | 58 | 320.437 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.96 | 4.98 | -8.85 | 0 | 6 | 0 | 56 | 318.421 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.96 | 6.95 | -39.05 | 1 | 6 | 1 | 57 | 319.429 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.96 | 9.2 | -105.77 | 2 | 6 | 2 | 58 | 320.437 | 4 | ↓ |
