| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 6th, 2008 | 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) | 0.65 | 7.83 | -52.02 | 2 | 7 | 1 | 74 | 399.515 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.65 | 5.46 | -19.84 | 1 | 7 | 0 | 73 | 398.507 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-quinone](http://zinc12.docking.org/img/rings/83563.gif)
![4-[(1,4-diketo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)benzamide](http://zinc12.docking.org/img/rings/83650.gif)