| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 24th, 2006 | 26 | Yes |
Popular Name: N-[4-(cyanomethyl)phenyl]-2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-acetamide N-[4-(cyanomethyl)phenyl]-2-(1,3…
| 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) | 0.83 | 8.46 | -24 | 1 | 9 | 0 | 115 | 352.354 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.83 | 8.95 | -59.92 | 2 | 9 | 1 | 116 | 353.362 | 4 | ↓ |
