| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 5th, 2008 | 31 | Yes |
Popular Name: 1-[(3-chlorophenyl)methyl]-8-(3,5-dimethylpyrazol-1-yl)-7-isobutyl-3-methyl-purine-2,6-dione 1-[(3-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) | 4.34 | 3.06 | -8.5 | 0 | 8 | 0 | 80 | 440.935 | 5 | ↓ |
| Mid Mid (pH 6-8) | 4.34 | 3.25 | -31.13 | 1 | 8 | 1 | 81 | 441.943 | 5 | ↓ |
