General
Preferred name
PD102027
Synonyms
1,5-Anhydrosorbitol ()
1,5-Anhydro-D-glucitol ()
P&D ID
PD102027
CAS
154-58-5
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
3
Cayman Chemical Bioactives
MedChem Express Bioactive Compound Library
Selleckchem Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
31
Properties
(calculated by RDKit )
Molecular Weight
164.07
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
4
Rotatable Bonds
1
Ring Count
1
Aromatic Ring Count
0
cLogP
-2.54
TPSA
90.15
Fraction CSP3
1.0
Chiral centers
4.0
Largest ring
6.0
QED
0.34
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Metabolic Enzyme/Protease
Target
Endogenous Metabolite
Source data
