| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 6th, 2008 | 36 | 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) | 1.96 | 9.59 | -49.55 | 2 | 8 | 1 | 77 | 496.676 | 8 | ↓ |
| Hi High (pH 8-9.5) | 1.96 | 7.32 | -15.7 | 1 | 8 | 0 | 76 | 495.668 | 8 | ↓ |
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)
![N-[3-(4-cyclohexylpiperazino)propyl]-4-[(1,4-diketo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]benzamide](http://zinc12.docking.org/img/rings/83669.gif)