| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 5th, 2008 | 30 | Yes |
Popular Name: 8-(3,5-dimethylpyrazol-1-yl)-3-methyl-7-(1-naphthylmethyl)purine-2,6-dione 8-(3,5-dimethylpyrazol-1-yl)-3-m…
| 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) | 2.71 | 0.95 | -10.46 | 1 | 8 | 0 | 91 | 400.442 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.71 | 1.14 | -34.18 | 2 | 8 | 1 | 92 | 401.45 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
