| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2010 | 40 | 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) | 4.83 | 12.48 | -22.82 | 0 | 8 | 0 | 83 | 557.672 | 10 | ↓ |
| Lo Low (pH 4.5-6) | 4.83 | 12.85 | -57.33 | 1 | 8 | 1 | 84 | 558.68 | 10 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one](http://zinc12.docking.org/img/rings/355.gif)
![3-[4-[4-(1,3-benzothiazol-2-yl)phenoxy]butoxy]-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one](http://zinc12.docking.org/img/rings/40079.gif)