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)	0.97	0.49	-10.64	1	4	0	63	231.66	1	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.93	-0.81	-41.83	1	4	-1	73	230.652	1	↓ MOL2 SDF SMILES Flexibase

Note Type	Comments	Provided By
Mp [°C]	160	Acros Organics
Hazard	C: Corrosive	Acros Organics
H phrase	H318: Causes serious eye damage	Acros Organics
H phrase	H318: Causes serious eye damage; H314: Causes severe skin burns and eye damage; H302: Harmful if swallowed; EUH029: Contact with water liberates toxic gas; EUH014: Reacts violently with water	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	R14: Reacts violently with water.	Acros Organics
R phrase	R14: Reacts violently with water.; R22: Harmful if swallowed.; R29: Contact with water liberates toxic gas.; R34: Causes burns.	Acros Organics
S phrase	S8: Keep container dry.	Acros Organics
S phrase	S8: Keep container dry.; S22: Do not breathe dust.; S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S30: Never add water to this product.; S36/37/39: Wear suitable protective clothing, gloves and eye/fac	Acros Organics
PUBCHEM_PATENT_ID	US6051593; US6114371; US6130238; WO1998050356A1; WO1999048868A2; WO1999061422A1; WO2000008202A2	IBM Patent Data

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

ZINC 12

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