| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 28th, 2009 | 20 | Yes |
Popular Name: 3-[[[(1S)-1-(4-chlorophenyl)ethyl]amino]methyl]-4-fluoro-benzonitrile 3-[[[(1S)-1-(4-chlorophenyl)ethy…
| 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) | 3.98 | 9.97 | -51.8 | 2 | 2 | 1 | 40 | 289.761 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.98 | 8.69 | -5.49 | 1 | 2 | 0 | 36 | 288.753 | 4 | ↓ |
