| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 10th, 2009 | 32 | 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) | 2.47 | 7.85 | -31.45 | 2 | 8 | 0 | 95 | 453.93 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.47 | 8.2 | -56.66 | 3 | 8 | 1 | 96 | 454.938 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-quinone](http://zinc12.docking.org/img/rings/6737.gif)
![2-(2,5-diketo-4-phenyl-1,3,4,7-tetrahydropyrrolo[3,4-d]pyrimidin-6-yl)-N-[2-(2-pyridyl)ethyl]acetamide](http://zinc12.docking.org/img/rings/18615.gif)