| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 24th, 2009 | 17 | Yes |
Popular Name: (2S)-2-(3,4-dimethylphenyl)-2-(1-piperidyl)acetonitrile (2S)-2-(3,4-dimethylphenyl)-2-(1…
| 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) | 3.44 | 9.75 | -37.53 | 1 | 2 | 1 | 28 | 229.347 | 2 | ↓ |
| Mid Mid (pH 6-8) | 3.44 | 7.73 | -4.75 | 0 | 2 | 0 | 27 | 228.339 | 2 | ↓ |
