| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2008 | 22 | Yes |
Popular Name: (3R)-3-[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[2,1-c][1,4]diazepine-2-carbonyl]indan-1-one (3R)-3-[(9aR)-1,3,4,5,7,8,9,9a-o…
| 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) | 1.42 | 9.47 | -50.82 | 1 | 4 | 1 | 42 | 299.394 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.42 | 8.15 | -12.24 | 0 | 4 | 0 | 41 | 298.386 | 1 | ↓ |
![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]diazepine-2-carbonyl)indan-1-one](http://zinc12.docking.org/img/rings/22746.gif)
