| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 8th, 2011 | 33 | Yes |
| 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) | 5.25 | 16.65 | -52.1 | 1 | 5 | 1 | 48 | 456.639 | 7 | ↓ |
| Hi High (pH 8-9.5) | 5.25 | 14.29 | -13.37 | 0 | 5 | 0 | 47 | 455.631 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 5.25 | 17.03 | -83.69 | 2 | 5 | 2 | 49 | 457.647 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![3-azabicyclo[3.1.0]hexane](http://zinc12.docking.org/img/rings/3016.gif)
![5-[5-[3-(5-phenyl-3-azabicyclo[3.1.0]hexan-3-yl)propylthio]-4H-1,2,4-triazol-3-yl]quinoline](http://zinc12.docking.org/img/rings/186737.gif)