| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 5th, 2008 | 29 | Yes |
Popular Name: 1-[(4-chlorophenyl)methyl]-8-(3,5-dimethylpyrazol-1-yl)-7-ethyl-3-methyl-purine-2,6-dione 1-[(4-chlorophenyl)methyl]-8-(3,…
| 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) | 3.62 | 2.79 | -8.36 | 0 | 8 | 0 | 80 | 412.881 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.62 | 2.97 | -31.72 | 1 | 8 | 1 | 81 | 413.889 | 4 | ↓ |
