| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 4th, 2011 | 19 | 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) | -0.41 | 5.11 | -102.91 | 4 | 5 | 2 | 61 | 263.389 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.41 | 3.18 | -4 | 2 | 5 | 0 | 58 | 261.373 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.41 | 3.54 | -49.33 | 3 | 5 | 1 | 60 | 262.381 | 3 | ↓ |
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)
![2-(4-pyrimidylmethyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine](http://zinc12.docking.org/img/rings/521538.gif)