| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2008 | 18 | Yes |
Popular Name: (1S,2R,5S)-2-isopropyl-5-methyl-1-piperazin-1-yl-cyclohexane-1-carbonitrile (1S,2R,5S)-2-isopropyl-5-methyl-…
| 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) | 3.15 | 6.53 | -53.71 | 2 | 3 | 1 | 44 | 250.41 | 2 | ↓ |
| Hi High (pH 8-9.5) | 3.15 | 5.11 | -6.57 | 1 | 3 | 0 | 39 | 249.402 | 2 | ↓ |
