Substance Information
| In ZINC since |
Heavy atoms |
Benign functionality |
| March 13th, 2008 |
24 |
Yes
|
Popular Name:
5-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c]pyrazin-2-yl]-N-cyclopentyl-[1,2,5]oxadiazolo[3,4-e
5-[(8aR)-3,4,6,7,8,8a-hexahydro-…
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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)
|
2.38 |
-2.16 |
-46.81 |
2 |
8 |
1 |
84 |
330.416 |
3 |
↓
|
Rings
-
Furazan
-
Pyrrolidine
-
Cyclopentane
-
Piperazine
-
Pyrazine
-
Furazano[3,4-b]pyrazine
![Furazano[3,4-b]pyrazine](//zinc12.docking.org/img/rings/1765.gif)
-
1,2,3,4,6,7,8,8a-octahydropyrrol…
![1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine](//zinc12.docking.org/img/rings/3890.gif)
-
[5-(3,4,6,7,8,8a-hexahydro-1H-py…
![[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)furazano[3,4-b]pyrazin-6-yl]-cyclopentyl-amine](//zinc12.docking.org/img/rings/58518.gif)
No pre-computed analogs available. Try a structural similarity search.
![Furazano[3,4-b]pyrazine](http://zinc12.docking.org/img/rings/1765.gif)
![1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine](http://zinc12.docking.org/img/rings/3890.gif)
![[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)furazano[3,4-b]pyrazin-6-yl]-cyclopentyl-amine](http://zinc12.docking.org/img/rings/58518.gif)