| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 21st, 2009 | 15 | Yes |
Popular Name: (1R,2S)-2-(4-methylpiperazin-1-yl)cyclohexanecarbonitrile (1R,2S)-2-(4-methylpiperazin-1-y…
| 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) | 1.79 | 5.52 | -40.25 | 1 | 3 | 1 | 31 | 208.329 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.79 | 5.11 | -39.81 | 1 | 3 | 1 | 31 | 208.329 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.79 | 3.18 | -7.29 | 0 | 3 | 0 | 30 | 207.321 | 1 | ↓ |
