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)	2.01	6.6	-13.89	0	2	0	26	208.264	0	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.01	7.07	-26.75	1	2	1	27	209.272	0	↓ MOL2 SDF SMILES Flexibase

Note Type	Comments	Provided By
Mp [°C]	158 - 163	Acros Organics
MP	160	TCI
Melting_Point	160-164?	Alfa-Aesar
Melting_Point	160-164°	Alfa-Aesar
Mp [°C]	250	Acros Organics
purity	9.500000000000000e+001	Enamine Building Blocks Enamine Building Blocks
H phrase	H302: Harmful if swallowed	Acros Organics
H phrase	H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation	Acros Organics
P phrase	P280: Wear protective gloves/protective clothing/eye protection/face protection	Acros Organics
P phrase	P280: Wear protective gloves/protective clothing/eye protection/face protection; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P304 + P340: IF INHALED: Remove victim to fresh air and ke	Acros Organics
R phrase	R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.	Acros Organics
R phrase	R36/37/38: Irritating to eyes, respiratory system and skin.	Acros Organics
S phrase	S24/25: Avoid contact with skin and eyes.	Acros Organics
S phrase	S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.	Acros Organics
Hazard	XI: Irritant	Acros Organics
Hazard	XN: Harmful	Acros Organics

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z81138-1-O	ScN2a (Scrapie-infected Neuroblastoma Cells) (cluster #1 Of 3), Other	Other	80	0.62	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
Z81138	Z81138	ScN2a (Scrapie-infected Neuroblastoma Cells)	80	0.62	Functional ≤ 10μM