| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 21st, 2009 | 20 | Yes |
Popular Name: (1S,2R,4S)-4-(1,1-dimethylpropyl)-2-(4-methylpiperazin-1-yl)cyclohexanecarbonitrile (1S,2R,4S)-4-(1,1-dimethylpropyl…
| 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 | 8.44 | -35.94 | 1 | 3 | 1 | 31 | 278.464 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.46 | 6.08 | -5.09 | 0 | 3 | 0 | 30 | 277.456 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.46 | 7.71 | -35.96 | 1 | 3 | 1 | 31 | 278.464 | 3 | ↓ |
