| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 21st, 2009 | 19 | Yes |
Popular Name: (1R,2R,4S)-4-tert-butyl-2-(4-methylpiperazin-1-yl)cyclohexanecarbonitrile (1R,2R,4S)-4-tert-butyl-2-(4-met…
| 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 | 8.26 | -44.73 | 1 | 3 | 1 | 31 | 264.437 | 2 | ↓ |
| Hi High (pH 8-9.5) | 3.12 | 5.9 | -4.56 | 0 | 3 | 0 | 30 | 263.429 | 2 | ↓ |
| Mid Mid (pH 6-8) | 3.12 | 7.34 | -44.92 | 1 | 3 | 1 | 31 | 264.437 | 2 | ↓ |
