UCSF

ZINC01531059

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) 1.57 2.63 -39.51 3 1 1 28 102.201 4

Vendor Notes

Note Type Comments Provided By
Mp [°C] 19 Acros Organics
Melting_Point 19? Alfa-Aesar
Melting_Point 19° Alfa-Aesar
MP 23° Oakwood Chemical
Boiling_Point 129-131? Alfa-Aesar
Boiling_Point 129-131° Alfa-Aesar
BP [°C] 130 Acros Organics
BP 131-132° Oakwood Chemical
Purity 98% Fluorochem
Hazard C: Corrosive Acros Organics
H phrase H302: Harmful if swallowed; H314: Causes severe skin burns and eye damage; H332: Harmful if inhaled; H312: Harmful in contact with skin; H226: Flammable liquid and vapor Acros Organics
H phrase H318: Causes serious eye damage Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection; 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 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.; R35: Causes severe 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% )