In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 9th, 2007 | 31 | Yes |
Popular Name: 3-benzyl-1-[(2,6-dichlorophenyl)methyl]-7-(2-methoxyethyl)purine-2,6-dione 3-benzyl-1-[(2,6-dichlorophenyl)…
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) | 4.50 | 0.97 | -11.48 | 0 | 7 | 0 | 71 | 459.333 | 7 | ↓ |
Mid Mid (pH 6-8) | 4.50 | 1.33 | -49.98 | 1 | 7 | 1 | 72 | 460.341 | 7 | ↓ |