General
Preferred name
PD017021
Synonyms
11-keto Testosterone (CRM) ()
11-keto Testosterone-d3 ()
P&D ID
PD017021
CAS
564-35-2
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 ]]
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
29
Properties
(calculated by RDKit )
Molecular Weight
302.19
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
1
Rotatable Bonds
0
Ring Count
4
Aromatic Ring Count
0
cLogP
3.06
TPSA
54.37
Fraction CSP3
0.79
Chiral centers
6.0
Largest ring
6.0
QED
0.75
Structural alerts
1
steroid_A(2)
[#8]=[#6]-4-[#6]-[#6]-[#6]-3-[#6]-2-[#6](=[#8])-[#6]-[#6]-1-[#6]-[#6]-[#6]-[#6]-1-[#6]-2-[#6]-[#6]-[#6]-3=[#6]-4
PAINS Family C
Related compounds
Custom attributes
(extracted from source data)
Source data
