In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2006 | 28 | No |
Popular Name: 4-benzoyl-3-hydroxy-5-(4-hydroxy-3-methoxy-phenyl)-1-(2-hydroxypropyl)-5H-pyrrol-2-one 4-benzoyl-3-hydroxy-5-(4-hydroxy…
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) | 1.45 | 3.06 | -61.81 | 2 | 7 | -1 | 110 | 382.392 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.89 | -4.46 | -29.17 | 3 | 7 | 0 | 107 | 383.4 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.86 | -4.23 | -23.45 | 2 | 7 | 0 | 104 | 383.4 | 6 | ↓ |