In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 30th, 2007 | 31 | No |
Popular Name: 4-benzoyl-5-(3,4-dimethoxyphenyl)-3-hydroxy-1-[2-(2-hydroxyethylamino)ethyl]-5H-pyrrol-2-one 4-benzoyl-5-(3,4-dimethoxyphenyl…
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) | 0.83 | -3.81 | -53.91 | 4 | 8 | 1 | 113 | 427.477 | 10 | ↓ |
Mid Mid (pH 6-8) | 0.24 | -3.96 | -62.3 | 3 | 8 | 1 | 109 | 427.477 | 10 | ↓ |