| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 23rd, 2009 | 21 | Yes |
Popular Name: 2-[3-[[[(1S)-1-(2-bromophenyl)ethyl]amino]methyl]phenoxy]acetonitrile 2-[3-[[[(1S)-1-(2-bromophenyl)et…
| 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) | 4.03 | 9.43 | -46.13 | 2 | 3 | 1 | 50 | 346.248 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.03 | 8.26 | -9.21 | 1 | 3 | 0 | 45 | 345.24 | 6 | ↓ |
