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)	0.45	4.46	-38.34	2	2	1	29	163.244	1	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.45	4.91	-98.5	3	2	2	31	164.252	1	↓ MOL2 SDF SMILES Flexibase

Note Type	Comments	Provided By
BP [°C]	270 - 272	Acros Organics
Boiling_Point	270-272?	Alfa-Aesar
Boiling_Point	270-272°	Alfa-Aesar
purity	9.500000000000000e+001	Enamine Building Blocks Enamine Building Blocks
Purity	95%	Fluorochem
Purity	97%	APIChem
Melting_Point	ca 9?	Alfa-Aesar
Melting_Point	ca 9°	Alfa-Aesar
Patent Database Links	EP1749525; WO2005112670	ChEBI
SOLUBILITY	H2O: 10 mg/mL	Indofine
H phrase	H301: Toxic if swallowed	Acros Organics
H phrase	H301: Toxic if swallowed; H331: Toxic if inhaled; H311: Toxic in contact with skin	Acros Organics
Therapy	insecticide	SMDC MicroSource
P phrase	P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician	Acros Organics
P phrase	P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician; P280: Wear protective gloves/protective clothing/eye protection/face protection; P312: Call a POISON CENTER or doctor/physician if you feel unwell; P302 + P350: IF ON SKIN: G	Acros Organics
R phrase	R23/24/25: Toxic by inhalation, in contact with skin and if swallowed.	Acros Organics
S phrase	S28A: After contact with skin, wash immediately with plenty of water.	Acros Organics
S phrase	S28A: After contact with skin, wash immediately with plenty of water.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.; S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label where pos	Acros Organics
Hazard	T: Toxic	Acros Organics

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ACH10-2-E	Neuronal Acetylcholine Receptor Protein Alpha-10 Subunit (cluster #2 Of 4), Eukaryotic	Eukaryotes	2600	0.65	Binding ≤ 10μM
ACHA3-4-E	Neuronal Acetylcholine Receptor Protein Alpha-3 Subunit (cluster #4 Of 5), Eukaryotic	Eukaryotes	2600	0.65	Binding ≤ 10μM
ACHA4-1-E	Neuronal Acetylcholine Receptor Protein Alpha-4 Subunit (cluster #1 Of 5), Eukaryotic	Eukaryotes	2600	0.65	Binding ≤ 10μM
ACHA7-1-E	Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit (cluster #1 Of 6), Eukaryotic	Eukaryotes	450	0.74	Binding ≤ 10μM
Z104283-1-O	Neuronal Acetylcholine Receptor; Alpha4/beta2 (cluster #1 Of 4), Other	Other	92	0.82	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
ACHA7_HUMAN	P36544	Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit, Human	450	0.74	Binding ≤ 1μM
Z104283	Z104283	Neuronal Acetylcholine Receptor; Alpha4/beta2	92	0.82	Binding ≤ 1μM
ACH10_RAT	Q9JLB5	Neuronal Acetylcholine Receptor Protein Alpha-10 Subunit, Rat	2600	0.65	Binding ≤ 10μM
ACHA3_RAT	P04757	Neuronal Acetylcholine Receptor Protein Alpha-3 Subunit, Rat	2600	0.65	Binding ≤ 10μM
ACHA4_RAT	P09483	Neuronal Acetylcholine Receptor Protein Alpha-4 Subunit, Rat	2600	0.65	Binding ≤ 10μM
ACHA7_HUMAN	P36544	Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit, Human	450	0.74	Binding ≤ 10μM
Z104283	Z104283	Neuronal Acetylcholine Receptor; Alpha4/beta2	92	0.82	Binding ≤ 10μM

Description	Species
Highly calcium permeable postsynaptic nicotinic acetylcholine receptors	Homo sapiens (ACHA7_HUMAN)