| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 5th, 2008 | 30 | Yes |
Popular Name: 7-ethyl-3-methyl-1-[2-(1-piperidyl)ethyl]-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione 7-ethyl-3-methyl-1-[2-(1-piperid…
| 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) | 2.66 | 2.94 | -35.42 | 1 | 9 | 1 | 84 | 414.534 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.66 | 3.1 | -77.13 | 2 | 9 | 2 | 85 | 415.542 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
