In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 3rd, 2008 | 26 | No |
Popular Name: (5S)-4-(4-bromobenzoyl)-3-hydroxy-1-(2-hydroxyethyl)-5-(4-hydroxyphenyl)-5H-pyrrol-2-one (5S)-4-(4-bromobenzoyl)-3-hydrox…
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) | 2.08 | 3 | -61.07 | 2 | 6 | -1 | 101 | 417.235 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.52 | 1.96 | -25.96 | 3 | 6 | 0 | 98 | 418.243 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.49 | 2.96 | -18.6 | 2 | 6 | 0 | 95 | 418.243 | 5 | ↓ |