| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 18th, 2008 | 28 | Yes |
Popular Name: 2-isobutyl-4,7-dimethyl-6-phenethyl-purino[7,8-a]imidazole-1,3-dione 2-isobutyl-4,7-dimethyl-6-phenet…
| 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) | 3.58 | 15.52 | -13.53 | 0 | 7 | 0 | 66 | 379.464 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.58 | 16 | -37.06 | 1 | 7 | 1 | 67 | 380.472 | 5 | ↓ |
