| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 19th, 2011 | 19 | Yes |
Popular Name: N-[2-[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]ethyl]aniline N-[2-[(9aR)-1,3,4,5,7,8,9,9a-oct…
| 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) | 2.38 | 7.05 | -32.16 | 2 | 3 | 1 | 20 | 260.405 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.38 | 7.44 | -37.89 | 2 | 3 | 1 | 20 | 260.405 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.38 | 5.48 | -3.14 | 1 | 3 | 0 | 19 | 259.397 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.38 | 8.97 | -109.43 | 3 | 3 | 2 | 21 | 261.413 | 4 | ↓ |
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-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)ethyl-phenyl-amine](http://zinc12.docking.org/img/rings/313718.gif)