In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 12th, 2006 | 35 | No |
Popular Name: 5-[3-(allyloxy)phenyl]-1-benzyl-4-(4-ethoxybenzoyl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one 5-[3-(allyloxy)phenyl]-1-benzyl-…
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) | 4.89 | 12.19 | -42.72 | 0 | 6 | -1 | 79 | 468.529 | 10 | ↓ |
Mid Mid (pH 6-8) | 4.30 | 0.59 | -19.02 | 0 | 6 | 0 | 72 | 469.537 | 10 | ↓ |
Mid Mid (pH 6-8) | 5.33 | 0.36 | -26.46 | 1 | 6 | 0 | 76 | 469.537 | 9 | ↓ |