| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 28th, 2006 | 31 | Yes |
Popular Name: 2-[(3-benzyl-7-isobutyl-2,6-dioxo-purin-1-yl)methyl]benzonitrile 2-[(3-benzyl-7-isobutyl-2,6-diox…
| 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) | 4.08 | 15.1 | -14.47 | 0 | 7 | 0 | 86 | 413.481 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.08 | 15.61 | -52.42 | 1 | 7 | 1 | 87 | 414.489 | 6 | ↓ |
