| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 4th, 2007 | 28 | Yes |
Popular Name: 2-[(3,7-diisobutyl-2,6-dioxo-purin-1-yl)methyl]benzonitrile 2-[(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) | 3.61 | 4.17 | -13.52 | 0 | 7 | 0 | 85 | 379.464 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.61 | 4.51 | -51.76 | 1 | 7 | 1 | 87 | 380.472 | 6 | ↓ |
