| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 10th, 2011 | 19 | 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) | 0.50 | 7.17 | -93.48 | 3 | 5 | 2 | 50 | 261.373 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.50 | 5.81 | -36.77 | 2 | 5 | 1 | 45 | 260.365 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.50 | 5.04 | -47.32 | 2 | 5 | 1 | 49 | 260.365 | 1 | ↓ |
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)
![5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine](http://zinc12.docking.org/img/rings/25634.gif)
![4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine](http://zinc12.docking.org/img/rings/539198.gif)