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)	0.46	3.14	-6.03	0	2	0	37	104.112	0	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.46	3.41	-41.57	1	2	1	38	105.12	0	↓ MOL2 SDF SMILES Flexibase

Note Type	Comments	Provided By
BP [°C]	201	Acros Organics
Boiling_Point	206-208?	Alfa-Aesar
Boiling_Point	206-208°	Alfa-Aesar
Mp [°C]	47 - 51	Acros Organics
Melting_Point	48-51?	Alfa-Aesar
Melting_Point	48-51°	Alfa-Aesar
MP	50	TCI
MP	50 - 52	Enamine Building Blocks
MP	50...52	Enamine Building Blocks
purity	9.500000000000000e+001	Enamine Building Blocks Enamine Building Blocks
Purity	95%	Fluorochem
H phrase	H335: May cause respiratory irritation	Acros Organics
H phrase	H335: May cause respiratory irritation; H319: Causes serious eye irritation; H315: Causes skin irritation	Acros Organics
P phrase	P261: Avoid breathing dust/fume/gas/mist/vapors/spray	Acros Organics
P phrase	P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water	Acros Organics
R phrase	R22: Harmful if swallowed.	Acros Organics
R phrase	R22: Harmful if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin.	Acros Organics
S phrase	S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.	Acros Organics
S phrase	S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.	Acros Organics
melting_point	Solid	KeyOrganics
Hazard	XN: Harmful	Acros Organics

No pre-computed analogs available. Try a structural similarity search.