General
Preferred name
HAEMATOXYLIN
Synonyms
HEMATOXYLIN ()
P&D ID
PD002243
CAS
517-28-2
1412-19-7
17647-60-8
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
AdooQ Bioactive Compound Library
The Spectrum Collection
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
21
Properties
(calculated by RDKit )
Molecular Weight
302.08
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
5
Rotatable Bonds
0
Ring Count
4
Aromatic Ring Count
2
cLogP
1.32
TPSA
110.38
Fraction CSP3
0.25
Chiral centers
2.0
Largest ring
6.0
QED
0.47
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
