| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 21st, 2009 | 21 | Yes |
Popular Name: (1S,2S,4R)-2-(4-methylpiperazin-1-yl)-4-phenyl-cyclohexanecarbonitrile (1S,2S,4R)-2-(4-methylpiperazin-…
| 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) | 3.12 | 9.7 | -47.55 | 1 | 3 | 1 | 31 | 284.427 | 2 | ↓ |
| Mid Mid (pH 6-8) | 3.12 | 8.79 | -48.38 | 1 | 3 | 1 | 31 | 284.427 | 2 | ↓ |
| Mid Mid (pH 6-8) | 3.12 | 7.35 | -6.22 | 0 | 3 | 0 | 30 | 283.419 | 2 | ↓ |
