| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 5th, 2008 | 28 | Yes |
Popular Name: 7-[(2,5-dimethylphenyl)methyl]-8-(3,5-dimethylpyrazol-1-yl)-3-methyl-purine-2,6-dione 7-[(2,5-dimethylphenyl)methyl]-8…
| 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) | 2.38 | 1.58 | -10.72 | 1 | 8 | 0 | 91 | 378.436 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.38 | 1.77 | -34.11 | 2 | 8 | 1 | 92 | 379.444 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
