| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 2nd, 2009 | 21 | Yes |
Popular Name: 2-[2-[[[(1S)-1-(3-chlorophenyl)ethyl]amino]methyl]phenoxy]acetonitrile 2-[2-[[[(1S)-1-(3-chlorophenyl)e…
| 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) | 3.90 | 9.46 | -44.18 | 2 | 3 | 1 | 50 | 301.797 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.90 | 8.31 | -8.3 | 1 | 3 | 0 | 45 | 300.789 | 6 | ↓ |
