| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 24th, 2009 | 21 | Yes |
Popular Name: (1S,2S,4R)-4-tert-butyl-2-(4-isopropylpiperazin-1-yl)cyclohexanecarbonitrile (1S,2S,4R)-4-tert-butyl-2-(4-iso…
| 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) | 3.80 | 9.45 | -42.69 | 1 | 3 | 1 | 31 | 292.491 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.80 | 7.03 | -4.24 | 0 | 3 | 0 | 30 | 291.483 | 3 | ↓ |
