General
Preferred name
Esculin (hydrate)
Synonyms
ESCULIN MONOHYDRATE ()
P&D ID
PD001533
CAS
531-75-9
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 ]]
Compound Sets
2
Cayman Chemical Bioactives
The Spectrum Collection
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
11
Properties
(calculated by RDKit )
Molecular Weight
358.09
Hydrogen Bond Acceptors
9
Hydrogen Bond Donors
5
Rotatable Bonds
3
Ring Count
3
Aromatic Ring Count
2
cLogP
-2.15
TPSA
181.32
Fraction CSP3
0.4
Chiral centers
5.0
Largest ring
6.0
QED
0.38
Structural alerts
3
aggregator (Aggregator Advisor)
Aggregators
aggregator (ZINC)
Aggregators
Beta lactamase activation
Nuisance compounds in cellular assays
Related compounds
Custom attributes
(extracted from source data)
Source data
