| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 10th, 2011 | 20 | Yes |
Popular Name: (9aS)-2-(2-benzyloxyethyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine (9aS)-2-(2-benzyloxyethyl)-1,3,4…
| 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) | 2.47 | 7.9 | -29.52 | 1 | 3 | 1 | 17 | 275.416 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.47 | 5.75 | -3.81 | 0 | 3 | 0 | 16 | 274.408 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.47 | 7.79 | -31.83 | 1 | 3 | 1 | 17 | 275.416 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.47 | 9.96 | -101.88 | 2 | 3 | 2 | 18 | 276.424 | 5 | ↓ |
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-(2-benzoxyethyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine](http://zinc12.docking.org/img/rings/530535.gif)