| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 5th, 2011 | 25 | Yes |
Popular Name: 6-[[4-(2-ethylbutanoyl)piperazin-1-yl]methyl]-1-methyl-5H-pyrazolo[3,4-d]pyrimidin-4-one 6-[[4-(2-ethylbutanoyl)piperazin…
| 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) | 0.78 | 4.99 | -18.68 | 1 | 8 | 0 | 87 | 346.435 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.24 | 4.57 | -57.01 | 1 | 8 | 0 | 91 | 346.435 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.78 | 7.44 | -68.33 | 2 | 8 | 1 | 88 | 347.443 | 5 | ↓ |
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-(piperazinomethyl)-1,5-dihydropyrazolo[3,4-d]pyrimidin-4-one](http://zinc12.docking.org/img/rings/24961.gif)