| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 21st, 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) | 0.34 | 3.22 | -99.3 | 5 | 5 | 2 | 67 | 282.432 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.34 | 3.99 | -36.58 | 4 | 5 | 1 | 63 | 281.424 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.34 | 2.25 | -6.01 | 3 | 5 | 0 | 62 | 280.416 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.34 | 3.8 | -35.94 | 4 | 5 | 1 | 63 | 281.424 | 5 | ↓ |
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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