In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 5th, 2008 | 29 | Yes |
Popular Name: 1-[(2,4-dichlorophenyl)methyl]-8-(3,5-dimethylpyrazol-1-yl)-3,7-dimethyl-purine-2,6-dione 1-[(2,4-dichlorophenyl)methyl]-8…
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) | 3.85 | 2.44 | -8.26 | 0 | 8 | 0 | 80 | 433.299 | 3 | ↓ |
Mid Mid (pH 6-8) | 3.85 | 2.63 | -31.65 | 1 | 8 | 1 | 81 | 434.307 | 3 | ↓ |