In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 19th, 2006 | 30 | No |
Popular Name: 4-(3-fluoro-4-methyl-benzoyl)-3-hydroxy-5-phenyl-1-(3-pyridylmethyl)-5H-pyrrol-2-one 4-(3-fluoro-4-methyl-benzoyl)-3-…
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) | 3.08 | 0.83 | -11.65 | 1 | 5 | 0 | 70 | 402.425 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.50 | 0.67 | -16.57 | 0 | 5 | 0 | 67 | 402.425 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.53 | 0.57 | -56.9 | 2 | 5 | 1 | 71 | 403.433 | 4 | ↓ |