| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 2nd, 2009 | 20 | Yes |
Popular Name: 4-[[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]methyl]benzonitrile 4-[[[(1S)-1-(3,4-difluorophenyl)…
| 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) | 3.46 | 9.41 | -63.45 | 2 | 2 | 1 | 40 | 273.306 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.46 | 8.29 | -8.24 | 1 | 2 | 0 | 36 | 272.298 | 4 | ↓ |
