| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 19th, 2009 | 14 | Yes |
Popular Name: (2S)-4-(2-hydroxyphenyl)-2-methyl-4-oxo-butanenitrile (2S)-4-(2-hydroxyphenyl)-2-methy…
| 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) | 2.20 | 5.23 | -11.58 | 1 | 3 | 0 | 61 | 189.214 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.20 | 6.26 | -47.22 | 0 | 3 | -1 | 64 | 188.206 | 3 | ↓ |
