General
Preferred name
Ochratoxin B
Synonyms
Ochratoxin B-13C20 ()
P&D ID
PD018461
CAS
4825-86-9
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 ]]
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
20
Properties
(calculated by RDKit )
Molecular Weight
369.12
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
3
Rotatable Bonds
5
Ring Count
3
Aromatic Ring Count
2
cLogP
1.92
TPSA
112.93
Fraction CSP3
0.25
Chiral centers
2.0
Largest ring
6.0
QED
0.69
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
