| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 5th, 2008 | 30 | Yes |
Popular Name: 7-benzyl-8-(3,5-dimethylpyrazol-1-yl)-1-(2-methoxyethyl)-3-methyl-purine-2,6-dione 7-benzyl-8-(3,5-dimethylpyrazol-…
| 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) | 2.55 | 2.74 | -11.01 | 0 | 9 | 0 | 89 | 408.462 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.55 | 2.93 | -31.94 | 1 | 9 | 1 | 90 | 409.47 | 6 | ↓ |
