| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 19th, 2011 | 20 | No |
| 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) | -0.44 | 1.82 | -110.9 | 4 | 5 | 2 | 69 | 303.472 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.44 | 1.46 | -43.12 | 3 | 5 | 1 | 68 | 302.464 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.44 | -0.37 | -10.55 | 2 | 5 | 0 | 67 | 301.456 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.44 | 0.27 | -52.17 | 3 | 5 | 1 | 68 | 302.464 | 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)
![3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)thiane 1,1-dioxide](http://zinc12.docking.org/img/rings/287994.gif)