| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 18th, 2008 | 29 | Yes |
Popular Name: 4-[(3,7-diisobutyl-2,6-dioxo-purin-1-yl)methyl]-3-fluoro-benzonitrile 4-[(3,7-diisobutyl-2,6-dioxo-pur…
| 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) | 3.75 | 13.33 | -11.97 | 0 | 7 | 0 | 86 | 397.454 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.75 | 13.84 | -49 | 1 | 7 | 1 | 87 | 398.462 | 6 | ↓ |
