| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 10th, 2007 | 32 | Yes |
Popular Name: 2-[(3-benzyl-7-cyclopentyl-2,6-dioxo-purin-1-yl)methyl]benzonitrile 2-[(3-benzyl-7-cyclopentyl-2,6-d…
| 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) | 4.36 | 3.22 | -13.25 | 0 | 7 | 0 | 85 | 425.492 | 5 | ↓ |
| Mid Mid (pH 6-8) | 4.36 | 3.58 | -53.84 | 1 | 7 | 1 | 86 | 426.5 | 5 | ↓ |
