In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 15th, 2006 | 36 | No |
Popular Name: 1-benzyl-3-hydroxy-4-(4-methylbenzoyl)-5-(3-phenoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one 1-benzyl-3-hydroxy-4-(4-methylbe…
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) | 5.96 | 14.59 | -43.96 | 0 | 5 | -1 | 70 | 474.536 | 7 | ↓ |
Mid Mid (pH 6-8) | 6.40 | 0.77 | -25.08 | 1 | 5 | 0 | 66 | 475.544 | 6 | ↓ |
Mid Mid (pH 6-8) | 5.37 | 1.02 | -21.04 | 0 | 5 | 0 | 63 | 475.544 | 7 | ↓ |