In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 24th, 2008 | 32 | No |
Popular Name: (5S)-5-(4-butoxyphenyl)-3-hydroxy-4-(4-methoxybenzoyl)-1-(2-methoxyethyl)-5H-pyrrol-2-one (5S)-5-(4-butoxyphenyl)-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) | 3.91 | 9.73 | -55.74 | 0 | 7 | -1 | 88 | 438.5 | 11 | ↓ |
Mid Mid (pH 6-8) | 4.36 | 7.34 | -26.27 | 1 | 7 | 0 | 85 | 439.508 | 10 | ↓ |
Mid Mid (pH 6-8) | 3.33 | 8.33 | -21.14 | 0 | 7 | 0 | 82 | 439.508 | 11 | ↓ |