Substance Information
| In ZINC since |
Heavy atoms |
Benign functionality |
| April 18th, 2010 |
26 |
No
|
Popular Name:
1-[(4aS,7aS)-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b][1,4]oxazin-4-yl]-4-(2,3-dihydro-1,4-benz
1-[(4aS,7aS)-6,6-dioxo-2,3,4a,5,…
Find On:
PubMed —
Wikipedia —
Google
Download:
MOL2
SDF
SMILES
Flexibase
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)
|
0.85 |
3.58 |
-21.34 |
0 |
7 |
0 |
82 |
381.45 |
4 |
↓
|
Rings
-
2,3-dihydro-1,4-dioxine
-
Morpholine
-
Benzene
-
Sulfolane
-
2,3-dihydro-1,4-benzodioxine
-
3,4,4a,5,7,7a-hexahydro-2H-thien…
![3,4,4a,5,7,7a-hexahydro-2H-thieno[3,4-b][1,4]oxazine 6,6-dioxide](//zinc12.docking.org/img/rings/61908.gif)
-
4-(2,3-dihydro-1,4-benzodioxin-6…
![4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(6,6-diketo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b][1,4]oxazin-4-yl)butan-1-one](//zinc12.docking.org/img/rings/529459.gif)
No pre-computed analogs available. Try a structural similarity search.
![3,4,4a,5,7,7a-hexahydro-2H-thieno[3,4-b][1,4]oxazine 6,6-dioxide](http://zinc12.docking.org/img/rings/61908.gif)
![4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(6,6-diketo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b][1,4]oxazin-4-yl)butan-1-one](http://zinc12.docking.org/img/rings/529459.gif)