| 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) | 0.21 | 3.75 | -83.95 | 5 | 5 | 2 | 67 | 282.432 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.21 | 1.86 | -5.62 | 3 | 5 | 0 | 62 | 280.416 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.21 | 3.41 | -38.53 | 4 | 5 | 1 | 63 | 281.424 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.21 | 4.02 | -36.03 | 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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