Substance Information
| In ZINC since |
Heavy atoms |
Benign functionality |
| September 14th, 2011 |
22 |
Yes
|
Popular Name:
(9aR)-8-(4,5,6,7-tetrahydro-2H-indazole-3-carbonyl)-3,4,6,7,9,9a-hexahydro-2H-pyrazino[1,2-a]pyrazin
(9aR)-8-(4,5,6,7-tetrahydro-2H-i…
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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)
|
0.02 |
0.78 |
-14.54 |
2 |
7 |
0 |
81 |
303.366 |
1 |
↓
|
Rings
-
1H-pyrazole
-
Piperazine
-
Cyclohexene
-
Piperazin-2-one
-
4,5,6,7-tetrahydro-2H-indazole
-
1,2,3,4,6,7,8,9a-octahydropyrazi…
![1,2,3,4,6,7,8,9a-octahydropyrazino[1,2-a]pyrazin-9-one](//zinc12.docking.org/img/rings/66563.gif)
-
2-(4,5,6,7-tetrahydro-2H-indazol…
![2-(4,5,6,7-tetrahydro-2H-indazole-3-carbonyl)-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one](//zinc12.docking.org/img/rings/578693.gif)
No pre-computed analogs available. Try a structural similarity search.
![1,2,3,4,6,7,8,9a-octahydropyrazino[1,2-a]pyrazin-9-one](http://zinc12.docking.org/img/rings/66563.gif)
![2-(4,5,6,7-tetrahydro-2H-indazole-3-carbonyl)-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one](http://zinc12.docking.org/img/rings/578693.gif)