| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 13th, 2008 | 18 | Yes |
Popular Name: (2S)-2-(4-ethylpiperazin-1-yl)-2-(p-tolyl)acetonitrile (2S)-2-(4-ethylpiperazin-1-yl)-2…
| 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) | 2.43 | 7.72 | -40.8 | 1 | 3 | 1 | 31 | 244.362 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.43 | 5.33 | -4.87 | 0 | 3 | 0 | 30 | 243.354 | 3 | ↓ |
