| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 4th, 2011 | 30 | No |
| 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) | 3.44 | 8.62 | -16.25 | 0 | 8 | 0 | 93 | 436.884 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.44 | 9.03 | -40.45 | 1 | 8 | 1 | 94 | 437.892 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![5,6-dihydropyrazolo[3,4-d]pyrimidin-4-one](http://zinc12.docking.org/img/rings/345785.gif)
![Pyrido[1,2-a]pyrimidin-4-one](http://zinc12.docking.org/img/rings/1379.gif)
![2-[[(4-keto-5-phenyl-6H-pyrazolo[3,4-d]pyrimidin-6-yl)thio]methyl]pyrido[1,2-a]pyrimidin-4-one](http://zinc12.docking.org/img/rings/345789.gif)