| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 5th, 2008 | 27 | Yes |
Popular Name: 8-(3,5-dimethylpyrazol-1-yl)-1-isobutyl-7-(2-methoxyethyl)-3-methyl-purine-2,6-dione 8-(3,5-dimethylpyrazol-1-yl)-1-i…
| 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) | 2.08 | 2.37 | -9.11 | 0 | 9 | 0 | 89 | 374.445 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.08 | 2.53 | -32.14 | 1 | 9 | 1 | 90 | 375.453 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
