| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 5th, 2008 | 28 | Yes |
Popular Name: 8-(3,5-dimethylpyrazol-1-yl)-1-[(2-fluorophenyl)methyl]-3,7-dimethyl-purine-2,6-dione 8-(3,5-dimethylpyrazol-1-yl)-1-[…
| 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) | 2.68 | 3.29 | -10.89 | 0 | 8 | 0 | 80 | 382.399 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.68 | 3.45 | -32.3 | 1 | 8 | 1 | 81 | 383.407 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
