Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »

MCULE-4323431207

Compound Show structure

In order to add this molecule to a collection you have to create an account. Sign up for free

1-Click Docking Predict the binding orientation and affinity of the ligand to a target.
Toxicity checker Searching for substructures commonly found in toxic and promiscuous ligands.
Property calculator Create a physicochemical property profile for the compound in a second.
Similarity search Find analogs by similarity search.
Substructure search Find analogs by substructure search.

mcule product ID	Guaranteed purity (%)	Product matching	Availability
P-1275011179	95	As is	by synthesis
P-904222639	95	As is	unavailable
P-904239049	95	As is	unavailable
P-611401443	90	Main component	in stock
P-896625496	95	Main component as a main component	by synthesis
P-869142192	95	Main component as a main component	unavailable
P-888647214	95	Main component as a main component	unavailable

Property	Value
Components	3
Mass	610.551
logP	6.9077
H-bond acceptors	10
H-bond donors	4
Rotatable bonds	10
PSA	169.25
RO5 violations	2
RO3 violations	6
Refractivity	167.0006
Atoms	73
Rings	4
Heavy atoms	40
Hydrogen atoms	33
Heteroatoms	13
N/O atoms	10
Inorganic atoms	0
Halogen atoms	2
Chiral centers	0
R/S chiral centers	0
Unknown chiral centers	0
Undefined chiral centers	0
Stereo double bonds	2
Cis/trans stereo double bonds	0
Unknown stereo double bonds	1
Undefined stereo double bonds	1