In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 19th, 2006 | 29 | No |
Popular Name: 4-benzoyl-1-butyl-5-(3,4-dimethoxyphenyl)-3-hydroxy-5H-pyrrol-2-one 4-benzoyl-1-butyl-5-(3,4-dimetho…
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) | 3.46 | 9.66 | -42.62 | 0 | 6 | -1 | 79 | 394.447 | 8 | ↓ |
Mid Mid (pH 6-8) | 3.91 | 0.68 | -28.31 | 1 | 6 | 0 | 76 | 395.455 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.88 | 0.9 | -20.38 | 0 | 6 | 0 | 72 | 395.455 | 8 | ↓ |