| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 2nd, 2009 | 21 | Yes |
Popular Name: 2-[4-[[[(1S)-1-(4-chlorophenyl)ethyl]amino]methyl]phenoxy]acetonitrile 2-[4-[[[(1S)-1-(4-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) | 3.97 | 9.42 | -54.72 | 2 | 3 | 1 | 50 | 301.797 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.97 | 8.28 | -8.65 | 1 | 3 | 0 | 45 | 300.789 | 6 | ↓ |
