| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 17th, 2009 | 16 | Yes |
Popular Name: (3S)-3-[2-(2,4-dichlorophenyl)ethylamino]butanenitrile (3S)-3-[2-(2,4-dichlorophenyl)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) | 2.97 | 7.93 | -49.58 | 2 | 2 | 1 | 40 | 258.172 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.97 | 6.72 | -7.47 | 1 | 2 | 0 | 36 | 257.164 | 5 | ↓ |
