| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 29th, 2009 | 21 | Yes |
Popular Name: (1S,4R,5S,6R)-6-[2-(3-pyridyl)ethylcarbamoyl]bicyclo[2.2.1]hept-2-ene-5-carboxylic (1S,4R,5S,6R)-6-[2-(3-pyridyl)et…
| 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) | 1.23 | 6.73 | -48.62 | 1 | 5 | -1 | 82 | 285.323 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.23 | 4.97 | -17.44 | 2 | 5 | 0 | 79 | 286.331 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.23 | 5.44 | -44.49 | 3 | 5 | 1 | 81 | 287.339 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![Bicyclo[2.2.1]hept-2-ene](http://zinc12.docking.org/img/rings/1252.gif)
![N-[2-(3-pyridyl)ethyl]bicyclo[2.2.1]hept-2-ene-5-carboxamide](http://zinc12.docking.org/img/rings/572862.gif)