General
Preferred name
PD162598
Synonyms
Taurodeoxycholic acid sodium salt hydrate ()
P&D ID
PD162598
CAS
516-50-7
Tags
natural product
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
ReFrame library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
4
Properties
(calculated by RDKit )
Molecular Weight
499.3
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
4
Rotatable Bonds
7
Ring Count
4
Aromatic Ring Count
0
cLogP
3.4
TPSA
123.93
Fraction CSP3
0.96
Chiral centers
10.0
Largest ring
6.0
QED
0.4
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
