In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 23rd, 2007 | 34 | Yes |
Popular Name: 3-benzyl-1-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-7-isobutyl-purine-2,6-dione 3-benzyl-1-[(4,5-dimethoxy-2-met…
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) | 4.40 | 3.3 | -16.39 | 0 | 8 | 0 | 80 | 462.55 | 8 | ↓ |
Mid Mid (pH 6-8) | 4.40 | 3.66 | -57.07 | 1 | 8 | 1 | 81 | 463.558 | 8 | ↓ |