| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 17th, 2010 | 20 | Yes |
Popular Name: 3-[(1S)-1-[(3-chloro-4-fluoro-phenyl)methylamino]ethyl]benzonitrile 3-[(1S)-1-[(3-chloro-4-fluoro-ph…
| 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) | 3.96 | 9.83 | -59.44 | 2 | 2 | 1 | 40 | 289.761 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.96 | 8.72 | -7.33 | 1 | 2 | 0 | 36 | 288.753 | 4 | ↓ |
