| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 17th, 2009 | 20 | Yes |
Popular Name: 4-[(1S)-1-[[(1R)-1-(2-bromophenyl)ethyl]amino]ethyl]benzonitrile 4-[(1S)-1-[[(1R)-1-(2-bromopheny…
| 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) | 4.53 | 10.36 | -49.15 | 2 | 2 | 1 | 40 | 330.249 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.53 | 9.41 | -5.94 | 1 | 2 | 0 | 36 | 329.241 | 4 | ↓ |
