| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 15th, 2011 | 22 | No |
Popular Name: (1S,5R)-8-ethyl-3-(4-nitrobenzothiophen-3-yl)-8-azabicyclo[3.2.1]oct-3-ene (1S,5R)-8-ethyl-3-(4-nitrobenzot…
| 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) | 3.89 | 11.48 | -27.99 | 1 | 4 | 1 | 50 | 315.418 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.89 | 9.84 | -8.72 | 0 | 4 | 0 | 49 | 314.41 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![8-azabicyclo[3.2.1]oct-2-ene](http://zinc12.docking.org/img/rings/198143.gif)
![3-(benzothiophen-3-yl)-8-azabicyclo[3.2.1]oct-2-ene](http://zinc12.docking.org/img/rings/198154.gif)