| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 5th, 2008 | 27 | Yes |
Popular Name: 8-(3,5-dimethylpyrazol-1-yl)-1-(2-ethoxyethyl)-7-isopropyl-3-methyl-purine-2,6-dione 8-(3,5-dimethylpyrazol-1-yl)-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) | 2.07 | 2.8 | -10.18 | 0 | 9 | 0 | 89 | 374.445 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.07 | 2.96 | -30.6 | 1 | 9 | 1 | 90 | 375.453 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
