General
Preferred name
TRYPAN BLUE
Synonyms
P&D ID
PD052302
CAS
72-57-1
Tags
nuisance
drug
available
Drug indication
Ophthalmic surgery injury
Drug Status
approved
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
4
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
13
Properties
(calculated by RDKit )
Molecular Weight
959.98
Hydrogen Bond Acceptors
20
Hydrogen Bond Donors
4
Rotatable Bonds
9
Ring Count
6
Aromatic Ring Count
6
cLogP
-6.68
TPSA
370.74
Fraction CSP3
0.06
Chiral centers
0.0
Largest ring
6.0
QED
0.05
Structural alerts
2
azo_A(324)
[#7;!R]=[#7]
PAINS Family A
Optical interference
Light absorption
Nuisance compounds
Related compounds
Custom attributes
(extracted from source data)
Source data
