| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 24th, 2011 | 29 | 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) | 2.33 | 9.31 | -37.6 | 3 | 6 | 1 | 70 | 389.479 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.33 | 7.15 | -8 | 2 | 6 | 0 | 68 | 388.471 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![6,6a,7,8,9,11-hexahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine](http://zinc12.docking.org/img/rings/172257.gif)
![2-(6,6a,7,8,9,11-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl)-N-(1H-indol-2-ylmethyl)-2-keto-acetamide](http://zinc12.docking.org/img/rings/172439.gif)