| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 21st, 2009 | 18 | Yes |
Popular Name: (1R,2R,4R)-2-(4-methylpiperazin-1-yl)-4-propyl-cyclohexanecarbonitrile (1R,2R,4R)-2-(4-methylpiperazin-…
| 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) | 3.04 | 7.63 | -39.02 | 1 | 3 | 1 | 31 | 250.41 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.04 | 5.25 | -5.76 | 0 | 3 | 0 | 30 | 249.402 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.04 | 7.16 | -37.42 | 1 | 3 | 1 | 31 | 250.41 | 3 | ↓ |
