General
Preferred name
Heptyl 1-Thiohexopyranoside
Synonyms
P&D ID
PD006205
CAS
85618-20-8
Tags
available
drug candidate
Drug indication
Discovery agent
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
19
Properties
(calculated by RDKit )
Molecular Weight
294.15
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
4
Rotatable Bonds
8
Ring Count
1
Aromatic Ring Count
0
cLogP
0.49
TPSA
90.15
Fraction CSP3
1.0
Chiral centers
5.0
Largest ring
6.0
QED
0.49
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
