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)	1.11	4.49	-53.83	0	4	-1	57	161.14	1	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.11	4.96	-46.46	1	4	0	59	162.148	1	↓ MOL2 SDF SMILES Flexibase

Note Type	Comments	Provided By
MP	169 - 171	Enamine Building Blocks
MP	169...171	Enamine Building Blocks
MP	171 - 173	Enamine Building Blocks
MP	171...173	Enamine Building Blocks
MP	189 - 191	Enamine Building Blocks
Mp [°C]	196 - 197	Acros Organics
MP	196°	Oakwood Chemical
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	R36/37/38: Irritating to eyes, respiratory system and skin.	Acros Organics
S phrase	S22: Do not breathe dust.	Acros Organics
S phrase	S22: Do not breathe dust.; 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
Hazard	XI: Irritant	Acros Organics

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