ZINC
12
User Information
Not Authenticated
—
sign in
Active cart: Temporary Cart (
0 items
)
Navigation
About
ZINC
BCIRC
Irwin Lab
Shoichet Lab
UCSF
Acknowledgements
Facts
Usage
Search
By:
Text
Structure
Properties
Catalogs
ZINC
Targets
Rings
Combination
Subsets
By:
Catalog
Property
Target
Ring
Cart
Help
Introduction
FAQ
Scripting/API
Quick Search
Problems
Filtering
History
Social
ZINC Fans
Decoy Club
DOCK Fans
Facebook
Twitter
Blog
Linkedin
Quick Search
ZINC ID or SMILES
Simple
Simple List
Systems
Systems List
Bemis-Murcko Scaffolds
B-M Scaffolds List
All
All List
Search
Identity
99%
90%
80%
70%
Substructure
2-(isoquinolin-2-ium-2-ylmethoxymethyl)isoquinolin-2-ium
PubMed
—
Wikipedia
—
Google
SMILES:
Ring Information
Rings
Ring Systems
Atoms
Carbons
Nitrogens
Oxygens
Sulfurs
4
2
23
20
2
1
0
Subset Information
Substances
Natural
Purchasable
Annotated
BB
In Man
Last Updated
View
0
0
1
0
0
2012-04-24
Parents (
1 Total
)
Isoquinoline
No Child Rings
Most Common Targets
Name
(Uniprot)
Swissprot
ChEMBL
Description
Size
Browse
Download
(Annotations)
ACES_HUMAN
P22303
CHEMBL220
Acetylcholinesterase, Human
1
Annotations
Catalogs
SMILES
SDF
Mol2
Flexibase
