Substance Information
| In ZINC since |
Heavy atoms |
Benign functionality |
| December 11th, 2011 |
20 |
Yes
|
Popular Name:
[(3aR,7aS)-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]-(2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)methanone
[(3aR,7aS)-1,3,3a,4,7,7a-hexahyd…
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Physical Representations
|
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)
|
2.63 |
6.62 |
-12.98 |
0 |
4 |
0 |
39 |
291.372 |
1 |
↓
|
Rings
-
Pyrrolidine
-
Thiophene
-
2,3-dihydro-1,4-dioxine
-
Cyclohexene
-
2,3-dihydrothieno[3,4-b][1,4]dio…
![2,3-dihydrothieno[3,4-b][1,4]dioxine](//zinc12.docking.org/img/rings/33379.gif)
-
2,3,3a,4,7,7a-hexahydro-1H-isoin…
-
1,3,3a,4,7,7a-hexahydroisoindol-…
![1,3,3a,4,7,7a-hexahydroisoindol-2-yl(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)methanone](//zinc12.docking.org/img/rings/33378.gif)
No pre-computed analogs available. Try a structural similarity search.
![2,3-dihydrothieno[3,4-b][1,4]dioxine](http://zinc12.docking.org/img/rings/33379.gif)
![1,3,3a,4,7,7a-hexahydroisoindol-2-yl(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)methanone](http://zinc12.docking.org/img/rings/33378.gif)