| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 11th, 2008 | 23 | No |
Popular Name: 1-[(1S,3R)-3-methylcyclohexyl]-4-[(2-nitrophenyl)methyl]piperazine 1-[(1S,3R)-3-methylcyclohexyl]-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) | 3.46 | 10.15 | -42.07 | 1 | 5 | 1 | 53 | 318.441 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.46 | 9.87 | -35.58 | 1 | 5 | 1 | 53 | 318.441 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.46 | 7.89 | -7.49 | 0 | 5 | 0 | 52 | 317.433 | 4 | ↓ |
