| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 21st, 2010 | 19 | Yes |
Popular Name: (1S)-N-[[(7S)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-1-(5-ethyl-2-thienyl)ethanamine (1S)-N-[[(7S)-7-bicyclo[4.2.0]oc…
| 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) | 4.34 | 10.83 | -40.19 | 2 | 1 | 1 | 17 | 272.437 | 5 | ↓ |
| Mid Mid (pH 6-8) | 4.34 | 9.62 | -3.71 | 1 | 1 | 0 | 12 | 271.429 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![Bicyclo[4.2.0]octa-1(6),2,4-triene](http://zinc12.docking.org/img/rings/5474.gif)
![7-bicyclo[4.2.0]octa-1(6),2,4-trienylmethyl(2-thenyl)amine](http://zinc12.docking.org/img/rings/520476.gif)