General
Preferred name
PD048740
Synonyms
3,4-DHMA (trifluoroacetate salt) ()
P&D ID
PD048740
CAS
15398-87-5
2704135-58-8
Tags
available
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
1
Cayman Chemical Bioactives
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
13
Properties
(calculated by RDKit )
Molecular Weight
181.11
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
3
Rotatable Bonds
3
Ring Count
1
Aromatic Ring Count
1
cLogP
1.25
TPSA
52.49
Fraction CSP3
0.4
Chiral centers
1.0
Largest ring
6.0
QED
0.61
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
