General
Preferred name
DIGITOXIN
Synonyms
P&D ID
PD055244
CAS
71-63-6
8006-96-0
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()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
1
DrugMatrix
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
8
Properties
(calculated by RDKit )
Molecular Weight
764.43
Hydrogen Bond Acceptors
13
Hydrogen Bond Donors
5
Rotatable Bonds
7
Ring Count
8
Aromatic Ring Count
0
cLogP
3.25
TPSA
182.83
Fraction CSP3
0.93
Chiral centers
20.0
Largest ring
6.0
QED
0.19
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
