Substance Information
| In ZINC since |
Heavy atoms |
Benign functionality |
| September 10th, 2011 |
26 |
Yes
|
Popular Name:
N-(1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-3-ylmethyl)-2-[(3R)-3-methyl-2-oxo-imidazo[1,2-a]pyridi
N-(1,4,5,6,7,8-hexahydrocyclohep…
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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)
|
1.73 |
6.02 |
-27.77 |
2 |
7 |
0 |
92 |
353.426 |
4 |
↓
|
Rings
-
1H-pyrazole
-
1H-pyridin-2-ylideneamine
-
Cycloheptene
-
3H-imidazo[1,2-a]pyridin-2-one
![3H-imidazo[1,2-a]pyridin-2-one](//zinc12.docking.org/img/rings/534397.gif)
-
1,4,5,6,7,8-hexahydrocyclohepta[…
![1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazole](//zinc12.docking.org/img/rings/11870.gif)
-
N-(1,4,5,6,7,8-hexahydrocyclohep…
![N-(1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-3-ylmethyl)-2-(2-keto-3H-imidazo[1,2-a]pyridin-3-yl)acetamide](//zinc12.docking.org/img/rings/534396.gif)
No pre-computed analogs available. Try a structural similarity search.
![3H-imidazo[1,2-a]pyridin-2-one](http://zinc12.docking.org/img/rings/534397.gif)
![1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazole](http://zinc12.docking.org/img/rings/11870.gif)
![N-(1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-3-ylmethyl)-2-(2-keto-3H-imidazo[1,2-a]pyridin-3-yl)acetamide](http://zinc12.docking.org/img/rings/534396.gif)