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)	1.78	4.39	-50.31	3	2	1	41	185.25	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.78	4.6	-108.6	4	2	2	42	186.258	2	↓ MOL2 SDF SMILES Flexibase

Note Type	Comments	Provided By
Mp [°C]	38 - 40	Acros Organics
Hazard	C: Corrosive	Acros Organics
H phrase	H312: Harmful in contact with skin	Acros Organics
H phrase	H312: Harmful in contact with skin; H332: Harmful if inhaled; H314: Causes severe skin burns and eye damage; H302: Harmful if swallowed; H318: Causes serious eye damage	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; P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting; P280: Wear eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water	Acros Organics
R phrase	R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.	Acros Organics
R phrase	R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.; R34: Causes burns.	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.; S45: In case of accident or if you feel unwell, s	Acros Organics

ZINC 12

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