| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 18th, 2008 | 19 | No |
Popular Name: 1-(2-nitrophenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one 1-(2-nitrophenyl)-1,5-dihydro-4H…
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CAS Number: 65973-97-9
| 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) | 0.93 | 7.04 | -25.81 | 1 | 8 | 0 | 109 | 257.209 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.39 | 5.94 | -46.42 | 0 | 8 | -1 | 112 | 256.201 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
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)
![1-phenyl-5H-pyrazolo[3,4-d]pyrimidin-4-one](http://zinc12.docking.org/img/rings/84822.gif)