| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 25th, 2011 | 21 | Yes |
Popular Name: (1R)-1-[4-(trifluoromethoxy)phenyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine (1R)-1-[4-(trifluoromethoxy)phen…
| 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) | 3.60 | 7.72 | -45.14 | 2 | 3 | 1 | 31 | 297.3 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.60 | 6.53 | -4.71 | 1 | 3 | 0 | 26 | 296.292 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine](http://zinc12.docking.org/img/rings/194498.gif)
![1-phenyl-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine](http://zinc12.docking.org/img/rings/194578.gif)