| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 5th, 2008 | 28 | Yes |
Popular Name: 7-isobutyl-1-(2-methoxyethyl)-3-methyl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione 7-isobutyl-1-(2-methoxyethyl)-3-…
| 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) | 2.46 | 3.06 | -9.94 | 0 | 9 | 0 | 89 | 388.472 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.46 | 3.22 | -30.35 | 1 | 9 | 1 | 90 | 389.48 | 6 | ↓ |
