In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 2nd, 2007 | 35 | No |
Popular Name: 4-benzoyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-3-hydroxy-5-(3-methoxyphenyl)-5H-pyrrol-2-one 4-benzoyl-1-[2-(3,4-dimethoxyphe…
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) | 3.86 | 10.82 | -62.02 | 0 | 7 | -1 | 88 | 472.517 | 9 | ↓ |
Mid Mid (pH 6-8) | 4.31 | 9.72 | -30.39 | 1 | 7 | 0 | 85 | 473.525 | 8 | ↓ |
Mid Mid (pH 6-8) | 3.28 | 10.69 | -25.23 | 0 | 7 | 0 | 82 | 473.525 | 9 | ↓ |