UCSF

ZINC19230150

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) -0.28 -1.72 -25.18 2 2 0 31 100.165 0
Mid Mid (pH 6-8) -0.28 -0.61 -36.24 3 2 1 29 101.173 0
Lo Low (pH 4.5-6) -0.28 0.74 -107.81 4 2 2 33 102.181 0

Vendor Notes

Note Type Comments Provided By
BP 153 TCI
BP [°C] 154 - 156 Acros Organics
BP [°C] 155 - 156 Acros Organics
Boiling_Point 155-156? Alfa-Aesar
Boiling_Point 155-156° Alfa-Aesar
Mp [°C] 61 - 66 Acros Organics
MP 64 TCI
Melting_Point 76-78? Alfa-Aesar
Melting_Point 76-78° Alfa-Aesar
Mp [°C] 86 - 91 Acros Organics
Melting_Point 89-91? Alfa-Aesar
Melting_Point 89-91° Alfa-Aesar
MP 90 TCI
Purity 95+% Matrix Scientific
Purity 96% APIChem
Purity 98% Fluorochem
Hazard F: Highly flammable Acros Organics
Hazard F: Highly flammable; 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; H228: Flammable solid Acros Organics
Warnings IRRITANT Matrix Scientific
P phrase P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking Acros Organics
P phrase P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking; P280: Wear eye protection/face protection; P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for seve Acros Organics
P phrase P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking; 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 Acros Organics
R phrase R11: Highly flammable. Acros Organics
R phrase R11: Highly flammable.; R34: Causes burns. Acros Organics
S phrase S16: Keep away from sources of ignition - No smoking. Acros Organics
S phrase S16: Keep away from sources of ignition - No smoking.; 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 accid Acros Organics

Activity (Go SEA)

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