Substance Information
| In ZINC since |
Heavy atoms |
Benign functionality |
| December 8th, 2010 |
21 |
Yes
|
Popular Name:
2-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-5,5-dimethyl-4,6-dihydro-1,3-
2-[(4aS,7aS)-3,4a,5,6,7,7a-hexah…
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SMILES
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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)
|
3.29 |
7.76 |
-9.42 |
0 |
4 |
0 |
42 |
306.431 |
1 |
↓
|
Rings
-
Thiazole
-
Cyclopentane
-
Morpholine
-
Cyclohex-2-en-1-one
-
2,3,4,4a,5,6,7,7a-octahydrocyclo…
![2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b][1,4]oxazine](//zinc12.docking.org/img/rings/1410.gif)
-
5,6-dihydro-4H-1,3-benzothiazol-…
-
2-(3,4a,5,6,7,7a-hexahydro-2H-cy…
![2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-5,6-dihydro-4H-1,3-benzothiazol-7-one](//zinc12.docking.org/img/rings/157594.gif)
No pre-computed analogs available. Try a structural similarity search.
![2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b][1,4]oxazine](http://zinc12.docking.org/img/rings/1410.gif)
![2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-5,6-dihydro-4H-1,3-benzothiazol-7-one](http://zinc12.docking.org/img/rings/157594.gif)