UCSF

ZINC00586534

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) 2.49 5.72 -4.84 0 2 0 26 142.198 4

Vendor Notes

Note Type Comments Provided By
Mp [°C] 37 Acros Organics
BP [°C] 155 Acros Organics
Boiling_Point 155? Alfa-Aesar
Boiling_Point 155° Alfa-Aesar
H phrase H319: Causes serious eye irritation Acros Organics
H phrase H319: Causes serious eye irritation; H317: May cause an allergic skin reaction; H315: Causes skin irritation; H410: Very toxic to aquatic life with long lasting effects; H335: May cause respiratory irritation; H226: Flammable liquid and vapor Acros Organics
P phrase P280: Wear eye protection/face protection Acros Organics
P phrase P280: Wear eye protection/face protection; P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P273: Avoid release to the environment; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye prot Acros Organics
R phrase R10: Flammable. Acros Organics
R phrase R10: Flammable.; R36/37/38: Irritating to eyes, respiratory system and skin.; R43: May cause sensitisation by skin contact.; R50: Very toxic to aquatic organisms. Acros Organics
S phrase S24: Avoid contact with skin. Acros Organics
S phrase S24: Avoid contact with skin.; S37: Wear suitable gloves.; S61: Avoid release to the environment. Refer to special instructions / safety data sheets. Acros Organics
Hazard XI: Irritant Acros Organics
Hazard XI: Irritant; N: Dangerous for the environment Acros Organics

Activity (Go SEA)

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