Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.83	4.94	-3.83	0	1	0	13	121.183	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.83	5.21	-27.91	1	1	1	14	122.191	2	↓ MOL2 SDF SMILES Flexibase

Note Type	Comments	Provided By
BP	167	TCI
purity	9.500000000000000e+001	Enamine Building Blocks Enamine Building Blocks
Purity	95%	Fluorochem
H phrase	H226: Flammable liquid and vapor; H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation	Acros Organics
P phrase	P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking; P280: Wear protective gloves/protective clothing/eye protection/face protection; P303 + P361 + P353: IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin	Acros Organics
R phrase	R10: Flammable.; R36/37/38: Irritating to eyes, respiratory system and skin.	Acros Organics
Hazard	XI: Irritant	Acros Organics

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ACH10-4-E	Neuronal Acetylcholine Receptor Protein Alpha-10 Subunit (cluster #4 Of 4), Eukaryotic	Eukaryotes	1700	0.90	Binding ≤ 10μM
ACHA3-4-E	Neuronal Acetylcholine Receptor Protein Alpha-3 Subunit (cluster #4 Of 5), Eukaryotic	Eukaryotes	1700	0.90	Binding ≤ 10μM
ACHA4-1-E	Neuronal Acetylcholine Receptor Protein Alpha-4 Subunit (cluster #1 Of 5), Eukaryotic	Eukaryotes	1700	0.90	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
ACH10_RAT	Q9JLB5	Neuronal Acetylcholine Receptor Protein Alpha-10 Subunit, Rat	1700	0.90	Binding ≤ 10μM
ACHA3_RAT	P04757	Neuronal Acetylcholine Receptor Protein Alpha-3 Subunit, Rat	1700	0.90	Binding ≤ 10μM
ACHA4_RAT	P09483	Neuronal Acetylcholine Receptor Protein Alpha-4 Subunit, Rat	1700	0.90	Binding ≤ 10μM