| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 5th, 2008 | 33 | Yes |
Popular Name: 8-(3,5-dimethylpyrazol-1-yl)-3-methyl-1-(1-naphthylmethyl)-7-propyl-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) | 4.61 | 3.65 | -11.8 | 0 | 8 | 0 | 80 | 442.523 | 5 | ↓ |
| Mid Mid (pH 6-8) | 4.61 | 3.84 | -34.44 | 1 | 8 | 1 | 81 | 443.531 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
