General
Preferred name
PANTOIC ACID
Synonyms
2,4-Dihydroxy-3,3-Dimethyl-Butyrate ()
P&D ID
PD054223
CAS
1112-33-0
470-29-1
Tags
drug candidate
natural product
available
Drug Status
experimental
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 ]]
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
29
Properties
(calculated by RDKit )
Molecular Weight
148.07
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
3
Rotatable Bonds
3
Ring Count
0
Aromatic Ring Count
0
cLogP
-0.55
TPSA
77.76
Fraction CSP3
0.83
Chiral centers
1.0
Largest ring
0.0
QED
0.5
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
