| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2011 | 16 | Yes |
Popular Name: (2S)-2-cyclohexyl-2-(4-methylpiperazin-1-yl)acetonitrile (2S)-2-cyclohexyl-2-(4-methylpip…
| 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) | 2.29 | 6.57 | -38.43 | 1 | 3 | 1 | 31 | 222.356 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.29 | 4.22 | -5.18 | 0 | 3 | 0 | 30 | 221.348 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
