| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 8th, 2007 | 24 | Yes |
Popular Name: 4-(3-butyl-7-methyl-2,6-dioxo-purin-8-yl)benzonitrile 4-(3-butyl-7-methyl-2,6-dioxo-pu…
| 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) | 2.36 | 8.14 | -12.17 | 1 | 7 | 0 | 96 | 323.356 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.36 | 8.58 | -46.94 | 2 | 7 | 1 | 98 | 324.364 | 4 | ↓ |
