| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 19th, 2011 | 19 | Yes |
Popular Name: (1R,2R)-2-[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]cyclooctanamine (1R,2R)-2-[(9aR)-1,3,4,5,7,8,9,9…
| 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) | 2.17 | 6.52 | -27.7 | 3 | 3 | 1 | 34 | 266.453 | 1 | ↓ |
| Hi High (pH 8-9.5) | 2.17 | 5.36 | -38.26 | 3 | 3 | 1 | 34 | 266.453 | 1 | ↓ |
| Mid Mid (pH 6-8) | 2.17 | 6.92 | -98.8 | 4 | 3 | 2 | 35 | 267.461 | 1 | ↓ |
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-cyclooctyl-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine](http://zinc12.docking.org/img/rings/312848.gif)