General
Preferred name
EMB, MK-244
Synonyms
Emamectin Benzoate ()
P&D ID
PD156416
CAS
119791-41-2
155569-91-8
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
Selleckchem Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
19
Properties
(calculated by RDKit )
Molecular Weight
885.52
Hydrogen Bond Acceptors
14
Hydrogen Bond Donors
3
Rotatable Bonds
9
Ring Count
7
Aromatic Ring Count
0
cLogP
5.6
TPSA
161.86
Fraction CSP3
0.78
Chiral centers
20.0
Largest ring
16.0
QED
0.19
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
Apoptosis related,DNA/RNA Synthesis,GABA Receptor
Source data
