General
Preferred name
ischemin
Synonyms
P&D ID
PD079741
Tags
available
drug candidate
Drug indication
Discovery agent
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
4
Properties
(calculated by RDKit )
Molecular Weight
335.09
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
3
Rotatable Bonds
3
Ring Count
2
Aromatic Ring Count
2
cLogP
3.56
TPSA
125.34
Fraction CSP3
0.2
Chiral centers
0.0
Largest ring
6.0
QED
0.45
Structural alerts
1
azo_A(324)
[#7;!R]=[#7]
PAINS Family A
Related compounds
Custom attributes
(extracted from source data)
Source data
