| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 14th, 2011 | 26 | No |
| 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) | 0.09 | 2.97 | -47.93 | 3 | 8 | 1 | 86 | 358.422 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.09 | 0.63 | -13.08 | 2 | 8 | 0 | 85 | 357.414 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.28 | -1.97 | -42.56 | 1 | 8 | -1 | 91 | 356.406 | 3 | ↓ |
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)
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