| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 24th, 2010 | 23 | No |
Popular Name: 2-[benzyl-[(1-methyl-4-oxo-5H-pyrazolo[3,4-d]pyrimidin-6-yl)methyl]amino]acetonitrile 2-[benzyl-[(1-methyl-4-oxo-5H-py…
| 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) | 0.63 | 5.57 | -19.37 | 1 | 7 | 0 | 91 | 308.345 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.08 | 2.8 | -46.55 | 0 | 7 | -1 | 94 | 307.337 | 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-[(benzylamino)methyl]-1,5-dihydropyrazolo[3,4-d]pyrimidin-4-one](http://zinc12.docking.org/img/rings/25038.gif)