| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 29th, 2006 | 25 | Yes |
Popular Name: 2-[2-(1,3-dimethyl-2,6-dioxo-7-prop-2-ynyl-purin-8-yl)-4-hydroxy-pyrazol-3-yl]acetonitrile 2-[2-(1,3-dimethyl-2,6-dioxo-7-p…
| 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) | 0.60 | 7.73 | -14.49 | 1 | 10 | 0 | 124 | 339.315 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.60 | 7.98 | -39.26 | 2 | 10 | 1 | 125 | 340.323 | 3 | ↓ |
