ChemDB: Chemical Search
Tools
Babel
Mass2Structure
MolInfo
MSFragment
Pattern Count Screen
Pattern Match Counter
Smi2Depict
Reaction Processor
Applications
Chemical Search
COSMOS
Reaction Explorer
Reaction Predictor
Virtual Chemical Space
Home
Chemical Search
Text Search
Structure Search
Filters
Options
Help?
Chemical Name
External ID
All Annotations
Fuzzy
Search
Help?
Sketch
Enter
smiles
Advanced Options
Threshold
Similar
Sub-structure
Tversky
α
β
Search
Help?
Structure
SMILES (isomeric)
SMILES (canonical)
CDB Chemical ID
Molecular Formula
Sketch
Sources
Subsets
FDA Approved Drugs
KEGG Compounds
NCI Diversity Set
Advanced
Molecular Weight
Heavy Atoms
Carbons
Oxygens
Nitrogens
XLogP
LogP (Chemaxon)
Rotatable Bonds
H-Bond Donors
H-Bond Acceptors
Chiral Atoms
Chiral Bonds
Rigid Segments
Solvation Energy
Solvation Area
Solvation Total
Solvation Coulombic
≤ x <
Molecular Weight
Heavy Atoms
Carbons
Oxygens
Nitrogens
XLogP
LogP (Chemaxon)
Rotatable Bonds
H-Bond Donors
H-Bond Acceptors
Chiral Atoms
Chiral Bonds
Rigid Segments
Solvation Energy
Solvation Area
Solvation Total
Solvation Coulombic
≤ x <
Molecular Weight
Heavy Atoms
Carbons
Oxygens
Nitrogens
XLogP
LogP (Chemaxon)
Rotatable Bonds
H-Bond Donors
H-Bond Acceptors
Chiral Atoms
Chiral Bonds
Rigid Segments
Solvation Energy
Solvation Area
Solvation Total
Solvation Coulombic
≤ x <
Molecular Weight
Heavy Atoms
Carbons
Oxygens
Nitrogens
XLogP
LogP (Chemaxon)
Rotatable Bonds
H-Bond Donors
H-Bond Acceptors
Chiral Atoms
Chiral Bonds
Rigid Segments
Solvation Energy
Solvation Area
Solvation Total
Solvation Coulombic
≤ x <
Results
/ page
Include Source IDs
