In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 24th, 2006 | 30 | No |
Popular Name: 4-benzoyl-5-(4-ethoxyphenyl)-3-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-5H-pyrrol-2-one 4-benzoyl-5-(4-ethoxyphenyl)-3-h…
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) | 2.07 | 6.53 | -57.42 | 1 | 7 | -1 | 99 | 410.446 | 10 | ↓ |
Mid Mid (pH 6-8) | 2.52 | -3.54 | -26.9 | 2 | 7 | 0 | 96 | 411.454 | 9 | ↓ |
Mid Mid (pH 6-8) | 1.49 | -3.23 | -19.35 | 1 | 7 | 0 | 93 | 411.454 | 10 | ↓ |