| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 29th, 2010 | 21 | Yes |
Popular Name: (2S)-3-[2-[4-(4-hydroxybut-1-ynyl)phenoxy]ethyl-methyl-amino]-2-methyl-propanenitrile (2S)-3-[2-[4-(4-hydroxybut-1-yny…
| 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) | 2.39 | 5.42 | -9.44 | 1 | 4 | 0 | 56 | 286.375 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.39 | 7.54 | -52.92 | 2 | 4 | 1 | 58 | 287.383 | 7 | ↓ |
