| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 5th, 2008 | 29 | Yes |
Popular Name: 8-(3,5-dimethylpyrazol-1-yl)-1-ethyl-7-[(2-fluorophenyl)methyl]-3-methyl-purine-2,6-dione 8-(3,5-dimethylpyrazol-1-yl)-1-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) | 3.06 | 3.55 | -11.92 | 0 | 8 | 0 | 80 | 396.426 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.06 | 3.74 | -32.56 | 1 | 8 | 1 | 81 | 397.434 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
