| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 19th, 2011 | 18 | Yes |
Popular Name: 2-[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]thiazole-5-carboxylic 2-[(9aR)-1,3,4,5,7,8,9,9a-octahy…
| 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) | 1.46 | 8.17 | -73.99 | 1 | 5 | 0 | 61 | 267.354 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.46 | 6.59 | -52 | 0 | 5 | -1 | 59 | 266.346 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 1.46 | 8.65 | -88.44 | 2 | 5 | 1 | 62 | 268.362 | 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-yl)thiazole](http://zinc12.docking.org/img/rings/313393.gif)