| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 19th, 2011 | 20 | 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) | 3.06 | 7.57 | -33.18 | 2 | 3 | 1 | 20 | 294.85 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.06 | 7.96 | -40.87 | 2 | 3 | 1 | 20 | 294.85 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.06 | 6 | -3.16 | 1 | 3 | 0 | 19 | 293.842 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.06 | 9.49 | -113.28 | 3 | 3 | 2 | 21 | 295.858 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![2,3,4,5,7,8,9,9a-octahydro-1H-pyrrolo[1,2-a][1,4]diazepine](http://zinc12.docking.org/img/rings/22747.gif)
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