General
Preferred name
DL-Benzylsuccinic acid
Synonyms
DL-benzylsuccinic acid, 2-Benzyl-Succinic Acid ()
2-Benzylsuccinic acid ()
2-benzylbutanedioic acid, Benzylsuccinic acid ()
PD086177 ()
P&D ID
PD086177
CAS
36092-42-9
884-33-3
Tags
drug candidate
natural product
available
Drug indication
Discovery agent
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
6
CZ-OPENSCREEN Bioactive Library
DrugMAP
EU-OPENSCREEN Bioactive Compound Library
LSP-MoA library (Laboratory of Systems Pharmacology)
MedChem Express Bioactive Compound Library
Selleckchem Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
24
Properties
(calculated by RDKit )
Molecular Weight
208.07
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
2
Rotatable Bonds
5
Ring Count
1
Aromatic Ring Count
1
cLogP
1.4
TPSA
74.6
Fraction CSP3
0.27
Chiral centers
1.0
Largest ring
6.0
QED
0.77
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Metabolic Enzyme/Protease
Target
Carboxypeptidase
Source data
