In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 3rd, 2008 | 27 | No |
Popular Name: (5S)-3-hydroxy-1-(2-hydroxyethyl)-5-(4-hydroxyphenyl)-4-(4-methoxybenzoyl)-5H-pyrrol-2-one (5S)-3-hydroxy-1-(2-hydroxyethyl…
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) | 1.32 | 1.62 | -63.54 | 2 | 7 | -1 | 110 | 368.365 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.77 | 0.64 | -26.99 | 3 | 7 | 0 | 107 | 369.373 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.74 | 1.64 | -20.46 | 2 | 7 | 0 | 104 | 369.373 | 6 | ↓ |