| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 10th, 2009 | 18 | Yes |
Popular Name: (2S)-2-(4-chloro-3-fluoro-phenyl)-2-(4-methylpiperazin-1-yl)acetonitrile (2S)-2-(4-chloro-3-fluoro-phenyl…
| 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) | 2.37 | 6.93 | -46.36 | 1 | 3 | 1 | 31 | 268.743 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.37 | 4.46 | -8.43 | 0 | 3 | 0 | 30 | 267.735 | 2 | ↓ |
