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)	3.17	7.1	-8.99	0	1	0	13	179.222	0	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.17	7.48	-24.09	1	1	1	14	180.23	0	↓ MOL2 SDF SMILES Flexibase

Note Type	Comments	Provided By
Melting_Point	107-111?	Alfa-Aesar
Melting_Point	107-111°	Alfa-Aesar
MP	108	TCI
Mp [°C]	250 - 255	Acros Organics
Boiling_Point	346?	Alfa-Aesar
Boiling_Point	346°	Alfa-Aesar
Purity	98%	Fluorochem
UniProt Database Links	ACRA_ECOLI; ACRB_ECOLI; ACRZ_ECO57; ACRZ_ECOL6; ACRZ_ECOLI; ACRZ_SHIFL; AC_BPT4; ANMT_RUTGR; DYRK2_HUMAN; RNT2_DANRE; SGE1_YEAST; TOLC_SALEN	ChEBI
Patent Database Links	EP0844246; EP0985662; EP1026156; EP1072576; EP1148059; EP1364944; EP1439187; EP1508345; EP1598067; EP1688409; EP1712557; EP1818336; EP1952792; EP1997805; US2001014452; US2002102612; US2002176895; US2003147845; US2003158127; US2004077726; US2004092598; US2	ChEBI
H phrase	H319: Causes serious eye irritation	Acros Organics
H phrase	H319: Causes serious eye irritation; H315: Causes skin irritation; H335: May cause respiratory 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	S24/25: Avoid contact with skin and eyes.	Acros Organics
Hazard	XI: Irritant	Acros Organics