| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 5th, 2008 | 31 | Yes |
Popular Name: 7-butyl-8-(3,5-dimethylpyrazol-1-yl)-1-[(4-fluorophenyl)methyl]-3-methyl-purine-2,6-dione 7-butyl-8-(3,5-dimethylpyrazol-1…
| 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) | 4.17 | 3.89 | -8.54 | 0 | 8 | 0 | 80 | 424.48 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.17 | 4.05 | -32.16 | 1 | 8 | 1 | 81 | 425.488 | 6 | ↓ |
