In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 1st, 2007 | 30 | No |
Popular Name: 4-(4-chlorobenzoyl)-5-(2,4-dimethoxyphenyl)-3-hydroxy-1-(2-hydroxypropyl)-5H-pyrrol-2-one 4-(4-chlorobenzoyl)-5-(2,4-dimet…
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) | 2.83 | 5.32 | -57.93 | 1 | 7 | -1 | 99 | 430.864 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.25 | 5.2 | -20.11 | 1 | 7 | 0 | 93 | 431.872 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.27 | 4.22 | -29.16 | 2 | 7 | 0 | 96 | 431.872 | 6 | ↓ |