Substance Information
| In ZINC since |
Heavy atoms |
Benign functionality |
| November 24th, 2010 |
23 |
Yes
|
Popular Name:
1-[(4aR,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-2-thieno[3,2-d]pyrimidin-4-ylsulfa
1-[(4aR,8aS)-2,3,4a,5,6,7,8,8a-o…
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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)
|
2.60 |
7.57 |
-11.7 |
0 |
5 |
0 |
55 |
349.481 |
3 |
↓
|
Rings
-
Thiophene
-
Morpholine
-
Pyrimidine
-
Cyclohexane
-
Thieno[3,2-d]pyrimidine
![Thieno[3,2-d]pyrimidine](//zinc12.docking.org/img/rings/4169.gif)
-
3,4,4a,5,6,7,8,8a-octahydro-2H-b…
![3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine](//zinc12.docking.org/img/rings/1452.gif)
-
1-(2,3,4a,5,6,7,8,8a-octahydrobe…
![1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-(thieno[3,2-d]pyrimidin-4-ylthio)ethanone](//zinc12.docking.org/img/rings/106430.gif)
No pre-computed analogs available. Try a structural similarity search.
![Thieno[3,2-d]pyrimidine](http://zinc12.docking.org/img/rings/4169.gif)
![3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine](http://zinc12.docking.org/img/rings/1452.gif)
![1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-(thieno[3,2-d]pyrimidin-4-ylthio)ethanone](http://zinc12.docking.org/img/rings/106430.gif)