| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 18th, 2006 | 27 | Yes |
Popular Name: 3-(3-benzyl-7-cyclopentyl-2,6-dioxo-purin-1-yl)propanenitrile 3-(3-benzyl-7-cyclopentyl-2,6-di…
| 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) | 2.52 | 12.75 | -11.3 | 0 | 7 | 0 | 86 | 363.421 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.52 | 13.25 | -53.05 | 1 | 7 | 1 | 87 | 364.429 | 5 | ↓ |
