| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 19th, 2011 | 16 | Yes |
Popular Name: (1S,2S)-2-[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]cyclopentanol (1S,2S)-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) | 1.14 | 4.16 | -28.58 | 2 | 3 | 1 | 28 | 225.356 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.14 | 5.71 | -98.33 | 3 | 3 | 2 | 29 | 226.364 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.14 | 3.83 | -30.44 | 2 | 3 | 1 | 28 | 225.356 | 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-cyclopentyl-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine](http://zinc12.docking.org/img/rings/312779.gif)