General
Preferred name
PSEUROTIN A
Synonyms
P&D ID
PD019077
CAS
58523-30-1
Tags
natural product
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 ]]
Cell lines
1
Organisms
1
Compound Sets
1
Cayman Chemical Bioactives
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
13
Properties
(calculated by RDKit )
Molecular Weight
431.16
Hydrogen Bond Acceptors
8
Hydrogen Bond Donors
4
Rotatable Bonds
7
Ring Count
3
Aromatic Ring Count
1
cLogP
0.0
TPSA
142.39
Fraction CSP3
0.41
Chiral centers
5.0
Largest ring
6.0
QED
0.27
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
