UCSF

ZINC01644076

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) 6.17 -0.11 -2.23 1 1 0 20 214.393 12

Vendor Notes

Note Type Comments Provided By
BP [°C] 289 Acros Organics
Boiling_Point 289? Alfa-Aesar
Boiling_Point 289° Alfa-Aesar
Mp [°C] 37 - 40 Acros Organics
Melting_Point 37-40? Alfa-Aesar
Melting_Point 37-40° Alfa-Aesar
H phrase H319: Causes serious eye irritation; H410: Very toxic to aquatic life with long lasting effects Acros Organics
P phrase P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P273: Avoid release to the environment; P391: Collect spillage; P501: Dispose of contents/container to an Acros Organics
R phrase R36: Irritating to eyes. Acros Organics
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics
Hazard XI: Irritant Acros Organics

Activity (Go SEA)

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