General
Preferred name
DESASPIDIN
Synonyms
Desaspidin bb ()
P&D ID
PD071817
CAS
114-43-2
Tags
natural product
drug
Drug Status
experimental
approved
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
4
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
14
Properties
(calculated by RDKit )
Molecular Weight
446.19
Hydrogen Bond Acceptors
8
Hydrogen Bond Donors
4
Rotatable Bonds
9
Ring Count
2
Aromatic Ring Count
1
cLogP
4.23
TPSA
141.36
Fraction CSP3
0.46
Chiral centers
0.0
Largest ring
6.0
QED
0.33
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
