| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 5th, 2008 | 30 | Yes |
Popular Name: 8-(3,5-diethylpyrazol-1-yl)-3,7-dimethyl-1-[2-(1-piperidyl)ethyl]purine-2,6-dione 8-(3,5-diethylpyrazol-1-yl)-3,7-…
| 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) | 3.06 | 2.67 | -35.13 | 1 | 9 | 1 | 84 | 414.534 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.06 | 2.86 | -76.7 | 2 | 9 | 2 | 85 | 415.542 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
