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)	0.06	0.44	-42.48	3	2	1	31	129.227	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.06	2.3	-29.81	3	2	1	30	129.227	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.06	2.72	-111.18	4	2	2	32	130.235	2	↓ MOL2 SDF SMILES Flexibase

Note Type	Comments	Provided By
BP	184	TCI
Boiling_Point	185-186?	Alfa-Aesar
Boiling_Point	185-186°	Alfa-Aesar
BP [°C]	186	Acros Organics
Purity	95%	Fluorochem
Purity	98%	Fluorochem
Hazard	C: Corrosive	Acros Organics
H phrase	H314: Causes severe skin burns and eye damage	Acros Organics
H phrase	H314: Causes severe skin burns and eye damage; H318: Causes serious eye damage; H226: Flammable liquid and vapor	Acros Organics
P phrase	P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting	Acros Organics
P phrase	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 for several minutes. Remove contact lenses, if present and easy to do. Continue r	Acros Organics
R phrase	R34: Causes burns.	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.; S45: In case of accident or if you feel unwell, seek medical advice immediat	Acros Organics

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

ZINC 12

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