| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 19th, 2011 | 17 | Yes |
Popular Name: (2S)-2-[[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]methyl]morpholine (2S)-2-[[(9aR)-1,3,4,5,7,8,9,9a-…
| 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) | 0.16 | 4.19 | -80.67 | 3 | 4 | 2 | 34 | 241.379 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.16 | 1.25 | -3.2 | 1 | 4 | 0 | 28 | 239.363 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.16 | 2.62 | -40.6 | 2 | 4 | 1 | 32 | 240.371 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.16 | 2.82 | -29.78 | 2 | 4 | 1 | 29 | 240.371 | 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-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-ylmethyl)morpholine](http://zinc12.docking.org/img/rings/313965.gif)