| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 17th, 2011 | 25 | 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) | -0.13 | 5.69 | -45.52 | 2 | 7 | 1 | 71 | 342.423 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.13 | 3.34 | -14.06 | 1 | 7 | 0 | 70 | 341.415 | 2 | ↓ |
| Lo Low (pH 4.5-6) | -0.13 | 6.13 | -81.46 | 3 | 7 | 2 | 72 | 343.431 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine](http://zinc12.docking.org/img/rings/3890.gif)
![Pyrido[1,2-a]pyrimidin-4-one](http://zinc12.docking.org/img/rings/1379.gif)
![N-(1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-7-yl)-4-keto-pyrido[1,2-a]pyrimidine-3-carboxamide](http://zinc12.docking.org/img/rings/594672.gif)