| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 14th, 2011 | 29 | Yes |
| 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) | -0.02 | 2.87 | -21.22 | 2 | 8 | 0 | 99 | 398.463 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.44 | 3.13 | -52.63 | 2 | 8 | 0 | 103 | 398.463 | 5 | ↓ |
| Mid Mid (pH 6-8) | -0.02 | 3.94 | -58.85 | 3 | 8 | 1 | 100 | 399.471 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one](http://zinc12.docking.org/img/rings/521055.gif)
![6-[(1-benzyl-2-keto-3-piperidyl)methyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one](http://zinc12.docking.org/img/rings/585471.gif)