General
Preferred name
L-??Chloroalanine
Synonyms
beta-Chloro-L-alanine hydrochloride ()
¦Â-Chloro-L-alanine ()
L-¦Â-Chloroalanine ()
??-Chloro-L-alanine ()
L-??-Chloroalanine ()
3-Chloro-L-alanine ()
??Chloro-L-alanine ()
β-Chloro-L-alanine ()
L-β-Chloroalanine ()
P&D ID
PD063943
CAS
2731-73-9
51887-89-9
Tags
available
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Alanine aminotransferase inhibitor (LOPAC library)
Compound Sets
3
LOPAC library
MedChem Express Bioactive Compound Library
HY-107373
TargetMol Bioactive Compound Library
T6987
External IDs
51
Properties
(calculated by RDKit )
Molecular Weight
123.01
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
2
Rotatable Bonds
2
Ring Count
0
Aromatic Ring Count
0
cLogP
-0.36
TPSA
63.32
Fraction CSP3
0.67
Chiral centers
1.0
Largest ring
0.0
QED
0.49
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Selectivity
Alanine aminotransferase
Pathway
Microbiology&virology
Anti-infection
Target
Bacterial
Source data