In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 11th, 2006 | 29 | No |
Popular Name: 4-benzoyl-5-(2,4-dimethoxyphenyl)-3-hydroxy-1-(2-methoxyethyl)-5H-pyrrol-2-one 4-benzoyl-5-(2,4-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) | 2.40 | 8.28 | -45.78 | 0 | 7 | -1 | 88 | 396.419 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.85 | -0.2 | -29.34 | 1 | 7 | 0 | 85 | 397.427 | 7 | ↓ |
Mid Mid (pH 6-8) | 1.82 | 0.01 | -19.78 | 0 | 7 | 0 | 82 | 397.427 | 8 | ↓ |