UCSF

ZINC01632621

Annotations

Vendors

Physical Representations

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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.98 2.39 -30.07 1 1 1 4 144.282 6

Vendor Notes

Note Type Comments Provided By
Mp [°C] 93 Acros Organics
Melting_Point 93? Alfa-Aesar
Melting_Point 93° Alfa-Aesar
BP [°C] 156 Acros Organics
Boiling_Point 156? Alfa-Aesar
Boiling_Point 156° Alfa-Aesar
UniProt Database Links ANFB_BOVIN; ANFB_CANFA; ANFB_FELCA; ANFB_HUMAN; ANFB_MOUSE; ANFB_PIG; ANFB_RAT; ANFB_SHEEP; ANFC_BOVIN; ANFC_CHICK; ANFC_HUMAN; ANFC_MOUSE; ANFC_PIG; ANFC_RAT; ANFC_SHEEP; ANF_BOVIN; ANF_CANFA; ANF_CAVPO; ANF_CHICK; ANF_FELCA; ANF_HORSE; ANF_HUMAN; ANF_MO ChEBI
Hazard C: Corrosive Acros Organics
Patent Database Links EP1342718; EP1484325; EP1707200; EP1840122; US2003208080; US2003229083; US2004059120; US2004167358; US2005026978; US2005096331; US2005113368; US2005124635; US2006094042; US2007237741; US2007237742; US2007254905; WO2005056560; WO2005113528; WO2006060730; W ChEBI
H phrase H314: Causes severe skin burns and eye damage Acros Organics
H phrase H314: Causes severe skin burns and eye damage; H311: Toxic in contact with skin; H301: Toxic if swallowed; H331: Toxic if inhaled; H226: Flammable liquid and vapor; H335: May cause respiratory irritation; H412: Harmful to aquatic life with long lasting ef Acros Organics
P phrase P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking; 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 seve Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection Acros Organics
R phrase R10: Flammable. Acros Organics
R phrase R10: Flammable.; R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.; R34: Causes burns.; R52/53: Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment. Acros Organics
S phrase S16: Keep away from sources of ignition - No smoking. Acros Organics
Hazard T: Toxic Acros Organics

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )