In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 25th, 2007 | 32 | No |
Popular Name: 4-benzoyl-3-hydroxy-1-(3-methoxypropyl)-5-(3,4,5-trimethoxyphenyl)-5H-pyrrol-2-one 4-benzoyl-3-hydroxy-1-(3-methoxy…
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) | 2.26 | 7.02 | -62.68 | 0 | 8 | -1 | 97 | 440.472 | 10 | ↓ |
Mid Mid (pH 6-8) | 1.68 | 7.26 | -25.55 | 0 | 8 | 0 | 91 | 441.48 | 10 | ↓ |
Mid Mid (pH 6-8) | 2.71 | 6.27 | -30.48 | 1 | 8 | 0 | 95 | 441.48 | 9 | ↓ |