General
Preferred name
PD020519
Synonyms
3-Thiatetradecanoic Acid ()
P&D ID
PD020519
CAS
116296-31-2
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()] ]]
Description
(extracted from source data)
DESCRIPTION
3-Thiatetradecanoic acid (3-thia TDA) is an analog of the 14-carbon saturated fatty acid myristic acid, wherein the C-3 carbon has been replaced by sulfur in a thioether linkage.
(BOC Sciences Bioactive Compounds)
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[[ compound.targets[tid].gene_name ]]
Compound Sets
2
BOC Sciences Bioactive Compounds
Cayman Chemical Bioactives
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[[ ligand_id ]]
free of charge
External IDs
15
Molecular Weight
246.17
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
1
Rotatable Bonds
12
Ring Count
0
Aromatic Ring Count
0
cLogP
4.34
TPSA
37.3
Fraction CSP3
0.92
Chiral centers
0.0
Largest ring
0.0
QED
0.52
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
