| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 19th, 2011 | 18 | Yes |
Popular Name: 4-[[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]methyl]aniline 4-[[(9aR)-1,3,4,5,7,8,9,9a-octah…
| 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) | 1.37 | 6.3 | -32.9 | 3 | 3 | 1 | 34 | 246.378 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.37 | 5.92 | -30.55 | 3 | 3 | 1 | 34 | 246.378 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 1.37 | 7.85 | -102.91 | 4 | 3 | 2 | 35 | 247.386 | 2 | ↓ |
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-benzyl-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine](http://zinc12.docking.org/img/rings/312584.gif)