General
Preferred name
PD011796
Synonyms
P&D ID
PD011796
CAS
5016-18-2
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 ]]
Compound Sets
1
NIH Mechanistic Set
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
24
Properties
(calculated by RDKit )
Molecular Weight
179.04
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
1
Rotatable Bonds
0
Ring Count
2
Aromatic Ring Count
0
cLogP
-1.64
TPSA
93.53
Fraction CSP3
0.17
Chiral centers
0.0
Largest ring
6.0
QED
0.52
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
