General
Preferred name
DBU
Synonyms
2,3,4,6,7,8,9,10-Octahydropyrimido[1,2-a]azepine ()
U-102 ()
1,8-Diazabicyclo[5.4.0]undec-7-ene ()
P&D ID
PD118835
CAS
31171-04-7
6674-22-2
88652-01-1
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()] ]]
Description
(extracted from source data)
PRICE
160
DESCRIPTION
1,8-Diazabicyclo[5.4.0]undec-7-ene (DBU) is a marine derived natural products found in Niphates digitalis.
(TargetMol Bioactive Compound Library)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
2
ReFrame library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
22
Molecular Weight
152.13
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
0
Rotatable Bonds
0
Ring Count
2
Aromatic Ring Count
0
cLogP
1.66
TPSA
15.6
Fraction CSP3
0.89
Chiral centers
0.0
Largest ring
7.0
QED
0.52
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
