| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 2nd, 2009 | 21 | Yes |
Popular Name: (1S,4R,5S,6S)-6-(4-prop-2-ynylpiperazine-1-carbonyl)bicyclo[2.2.1]hept-2-ene-5-carboxylic (1S,4R,5S,6S)-6-(4-prop-2-ynylpi…
| 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) | 0.95 | 6.39 | -49.33 | 0 | 5 | -1 | 64 | 287.339 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.95 | 4.18 | -8.55 | 1 | 5 | 0 | 61 | 288.347 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.95 | 6.43 | -44.52 | 2 | 5 | 1 | 62 | 289.355 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.95 | 8.63 | -65.08 | 1 | 5 | 0 | 65 | 288.347 | 3 | ↓ |
![Bicyclo[2.2.1]hept-2-ene](http://zinc12.docking.org/img/rings/1252.gif)
![5-bicyclo[2.2.1]hept-2-enyl(piperazino)methanone](http://zinc12.docking.org/img/rings/454008.gif)
