Substance Information
| In ZINC since |
Heavy atoms |
Benign functionality |
| March 12th, 2008 |
26 |
Yes
|
Popular Name:
2,3-dihydrothieno[4,3-b][1,4]dioxin-5-yl-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)met
2,3-dihydrothieno[4,3-b][1,4]dio…
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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)
|
2.77 |
6.5 |
-15.67 |
1 |
6 |
0 |
67 |
367.43 |
2 |
↓
|
Rings
-
1H-pyrazole
-
Thiophene
-
2,3-dihydro-1,4-dioxine
-
1,2,3,6-tetrahydropyridine
-
Benzene
-
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)
-
4,5,6,7-tetrahydro-1H-pyrazolo[4…
![4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine](//zinc12.docking.org/img/rings/22531.gif)
-
2,3-dihydrothieno[3,4-b][1,4]dio…
![2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone](//zinc12.docking.org/img/rings/53259.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)
![4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine](http://zinc12.docking.org/img/rings/22531.gif)
![2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone](http://zinc12.docking.org/img/rings/53259.gif)