| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 19th, 2009 | 16 | Yes |
Popular Name: (2S)-4-(2-hydroxy-3-methoxy-phenyl)-2-methyl-4-oxo-butanenitrile (2S)-4-(2-hydroxy-3-methoxy-phen…
| 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) | 1.81 | 5.15 | -11.7 | 1 | 4 | 0 | 70 | 219.24 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.81 | 6.1 | -50.59 | 0 | 4 | -1 | 73 | 218.232 | 4 | ↓ |
