| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 5th, 2008 | 29 | Yes |
Popular Name: 3,7-dimethyl-1-[2-(1-piperidyl)ethyl]-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione 3,7-dimethyl-1-[2-(1-piperidyl)e…
| 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) | 2.29 | 2.73 | -35.67 | 1 | 9 | 1 | 84 | 400.507 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.29 | 2.92 | -77.94 | 2 | 9 | 2 | 85 | 401.515 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
