UCSF

ZINC01561887

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) 2.90 -0.91 -44.93 3 1 1 27 184.262 2

Vendor Notes

Note Type Comments Provided By
Melting_Point 11-13? Alfa-Aesar
Melting_Point 11-13° Alfa-Aesar
Mp [°C] 12 Acros Organics
MP 181 - 182 Enamine Building Blocks
MP 181...182 Enamine Building Blocks
MP 293 - 295 Enamine Building Blocks
Boiling_Point 294-296? Alfa-Aesar
Boiling_Point 294-296° Alfa-Aesar
BP [°C] 295 Acros Organics
BP 295° Fluorochem
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem
Hazard C: Corrosive Acros Organics
Melting_Point ca 298? dec. Alfa-Aesar
Melting_Point ca 298° dec. Alfa-Aesar
H phrase H302: Harmful if swallowed Acros Organics
H phrase H302: Harmful if swallowed; H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation 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 R22: Harmful if swallowed. Acros Organics
R phrase R22: Harmful if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Acros Organics
Hazard XN: Harmful Acros Organics

Activity (Go SEA)

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