General
Preferred name
PD050739
Synonyms
2,4-epi-neodysiherbaine ()
P&D ID
PD050739
Tags
drug candidate
natural product
Drug indication
Discovery agent
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
6
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
4
Properties
(calculated by RDKit )
Molecular Weight
290.09
Hydrogen Bond Acceptors
8
Hydrogen Bond Donors
3
Rotatable Bonds
4
Ring Count
2
Aromatic Ring Count
0
cLogP
-5.86
TPSA
166.82
Fraction CSP3
0.82
Chiral centers
6.0
Largest ring
6.0
QED
0.46
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
