In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2006 | 29 | No |
Popular Name: 4-benzoyl-5-(2,5-dimethoxyphenyl)-3-hydroxy-1-(2-hydroxypropyl)-5H-pyrrol-2-one 4-benzoyl-5-(2,5-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) | 2.15 | 4.8 | -66.06 | 1 | 7 | -1 | 99 | 396.419 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.60 | -2.53 | -28.35 | 2 | 7 | 0 | 96 | 397.427 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.57 | -2.37 | -23.82 | 1 | 7 | 0 | 93 | 397.427 | 7 | ↓ |