Substance Information
| In ZINC since |
Heavy atoms |
Benign functionality |
| February 11th, 2010 |
35 |
Yes
|
Popular Name:
(3aS,4S,6R,6aR)-N-cyclopropyl-2,2-dimethyl-6-[6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)purin-9-
(3aS,4S,6R,6aR)-N-cyclopropyl-2,…
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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)
|
1.34 |
10.43 |
-22.15 |
1 |
12 |
0 |
131 |
494.537 |
5 |
↓
|
Rings
-
Cyclopropane
-
4H-1,2,4-triazole
-
1,3-dioxolane
-
Glyoxaline
-
Tetrahydrofuran
-
Pyrimidine
-
Pyridine
-
3a,4,6,6a-tetrahydrofuro[3,4-d][…
![3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole](//zinc12.docking.org/img/rings/20426.gif)
-
9H-purine
-
[1,2,4]triazolo[4,3-a]pyridine
![[1,2,4]triazolo[4,3-a]pyridine](//zinc12.docking.org/img/rings/2142.gif)
-
N-cyclopropyl-6-[6-([1,2,4]triaz…
![N-cyclopropyl-6-[6-([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)purin-9-yl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-4-carboxamide](//zinc12.docking.org/img/rings/603447.gif)
No pre-computed analogs available. Try a structural similarity search.
![3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole](http://zinc12.docking.org/img/rings/20426.gif)
![[1,2,4]triazolo[4,3-a]pyridine](http://zinc12.docking.org/img/rings/2142.gif)
![N-cyclopropyl-6-[6-([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)purin-9-yl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-4-carboxamide](http://zinc12.docking.org/img/rings/603447.gif)