In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 24th, 2007 | 35 | No |
Popular Name: 4-(4-benzyloxy-2-methyl-benzoyl)-3-hydroxy-1-(2-methoxyethyl)-5-(p-tolyl)-5H-pyrrol-2-one 4-(4-benzyloxy-2-methyl-benzoyl)…
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) | 4.84 | 12.66 | -45.15 | 0 | 6 | -1 | 79 | 470.545 | 9 | ↓ |
Mid Mid (pH 6-8) | 4.26 | 0.71 | -22.53 | 0 | 6 | 0 | 72 | 471.553 | 9 | ↓ |
Mid Mid (pH 6-8) | 5.29 | 12.15 | -20.53 | 1 | 6 | 0 | 76 | 471.553 | 8 | ↓ |