In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 2nd, 2006 | 30 | No |
Popular Name: 4-benzoyl-5-(3,4-dimethoxyphenyl)-3-hydroxy-1-(3-methoxypropyl)-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) | 2.28 | 7.94 | -44.13 | 0 | 7 | -1 | 88 | 410.446 | 9 | ↓ |
Mid Mid (pH 6-8) | 2.73 | -0.12 | -29.37 | 1 | 7 | 0 | 85 | 411.454 | 8 | ↓ |
Mid Mid (pH 6-8) | 1.70 | 0.1 | -21.4 | 0 | 7 | 0 | 82 | 411.454 | 9 | ↓ |