| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 7th, 2010 | 20 | Yes |
Popular Name: 4-[[[(1S)-1-(3-chlorophenyl)ethyl]-methyl-amino]methyl]benzonitrile 4-[[[(1S)-1-(3-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) | 4.11 | 11.53 | -50.16 | 1 | 2 | 1 | 28 | 285.798 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.11 | 9.52 | -5.77 | 0 | 2 | 0 | 27 | 284.79 | 4 | ↓ |
