| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 5th, 2008 | 31 | Yes |
Popular Name: 8-(3,5-dimethylpyrazol-1-yl)-7-[(2-fluorophenyl)methyl]-1-isobutyl-3-methyl-purine-2,6-dione 8-(3,5-dimethylpyrazol-1-yl)-7-[…
| 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) | 3.81 | 3.68 | -11.49 | 0 | 8 | 0 | 80 | 424.48 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.81 | 3.87 | -32.03 | 1 | 8 | 1 | 81 | 425.488 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
