| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 21st, 2009 | 20 | Yes |
Popular Name: 4-[(1S)-1-[(2-bromo-5-fluoro-phenyl)methylamino]ethyl]benzonitrile 4-[(1S)-1-[(2-bromo-5-fluoro-phe…
| 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) | 4.11 | 9.88 | -49.1 | 2 | 2 | 1 | 40 | 334.212 | 4 | ↓ |
| Mid Mid (pH 6-8) | 4.11 | 8.72 | -5.83 | 1 | 2 | 0 | 36 | 333.204 | 4 | ↓ |
