| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 15th, 2011 | 24 | Yes |
Popular Name: 1-tert-butyl-6-[4-(2,2-difluoroethyl)piperazin-1-yl]-5H-pyrazolo[3,4-d]pyrimidin-4-one 1-tert-butyl-6-[4-(2,2-difluoroe…
| 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) | 2.14 | 7.35 | -12.64 | 1 | 7 | 0 | 70 | 340.378 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.14 | 9.42 | -55.9 | 2 | 7 | 1 | 71 | 341.386 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![1,5-dihydropyrazolo[3,4-d]pyrimidin-4-one](http://zinc12.docking.org/img/rings/1171.gif)
![6-piperazino-1,5-dihydropyrazolo[3,4-d]pyrimidin-4-one](http://zinc12.docking.org/img/rings/168598.gif)