Substance Information
| In ZINC since |
Heavy atoms |
Benign functionality |
| April 23rd, 2011 |
24 |
Yes
|
Popular Name:
N-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
N-[2-([1,2,4]triazolo[3,4-b][1,3…
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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)
|
0.28 |
3.41 |
-21.7 |
1 |
9 |
0 |
108 |
367.412 |
5 |
↓
|
Rings
-
1,3,4-thiadiazole
-
4H-1,2,4-triazole
-
2,3-dihydro-1,4-dioxine
-
Benzene
-
[1,2,4]triazolo[3,4-b][1,3,4]thi…
![[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole](//zinc12.docking.org/img/rings/1918.gif)
-
2,3-dihydro-1,4-benzodioxine
-
N-[2-([1,2,4]triazolo[3,4-b][1,3…
![N-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide](//zinc12.docking.org/img/rings/11112.gif)
No pre-computed analogs available. Try a structural similarity search.
![[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole](http://zinc12.docking.org/img/rings/1918.gif)
![N-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide](http://zinc12.docking.org/img/rings/11112.gif)