General
Preferred name
n-Octyl-?-D-thioglucopyranoside
Synonyms
2-HYDROXYMETHYL-6-OCTYLSULFANYL-TETRAHYDRO-PYRAN-3,4,5-TRIOL ()
P&D ID
PD004329
CAS
85618-21-9
Tags
available
drug candidate
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
21
Properties
(calculated by RDKit )
Molecular Weight
308.17
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
4
Rotatable Bonds
9
Ring Count
1
Aromatic Ring Count
0
cLogP
0.88
TPSA
90.15
Fraction CSP3
1.0
Chiral centers
5.0
Largest ring
6.0
QED
0.47
QED
0.47
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
