| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 9th, 2010 | 12 | Yes |
Popular Name: (7S,8aS)-7-aminohexahydropyrrolo[1,2-a]pyrazine-1,4-dione (7S,8aS)-7-aminohexahydropyrrolo…
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CAS Numbers: 1256636-27-7 , 1609388-40-0
| 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) | -2.39 | -2.78 | -54.02 | 4 | 5 | 1 | 77 | 170.192 | 0 | ↓ |
| Hi High (pH 8-9.5) | -2.39 | -3.06 | -9.84 | 3 | 5 | 0 | 75 | 169.184 | 0 | ↓ |
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)