General
Preferred name
Aprotinin
Synonyms
P&D ID
PD079647
CAS
9087-70-1
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 ]]
Compound Sets
1
AdooQ Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
2
Properties
(calculated by RDKit )
Molecular Weight
6507.04
Hydrogen Bond Acceptors
92
Hydrogen Bond Donors
93
Rotatable Bonds
105
Ring Count
15
Aromatic Ring Count
8
cLogP
-26.69
TPSA
2645.74
Fraction CSP3
0.58
Chiral centers
57.0
Largest ring
78.0
QED
0.01
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
