General
Preferred name
KAEMPFERITRIN
Synonyms
P&D ID
PD056586
CAS
482-38-2
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
2
AdooQ Bioactive Compound Library
DrugMatrix
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
7
Properties
(calculated by RDKit )
Molecular Weight
578.16
Hydrogen Bond Acceptors
14
Hydrogen Bond Donors
8
Rotatable Bonds
5
Ring Count
5
Aromatic Ring Count
3
cLogP
-0.72
TPSA
228.97
Fraction CSP3
0.44
Chiral centers
10.0
Largest ring
6.0
QED
0.19
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
