| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 5th, 2008 | 24 | No |
Popular Name: 1-acetonyl-8-(3,5-dimethylpyrazol-1-yl)-3,7-dimethyl-purine-2,6-dione 1-acetonyl-8-(3,5-dimethylpyrazo…
| 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) | 0.52 | 3.09 | -14.78 | 0 | 9 | 0 | 97 | 330.348 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.52 | 3.28 | -35.64 | 1 | 9 | 1 | 98 | 331.356 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
