UCSF

ZINC00333587

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) 0.35 0.7 -26 5 3 1 66 110.14 0

Vendor Notes

Note Type Comments Provided By
Mp [°C] 115 - 123 Acros Organics
MP 117-122° Oakwood Chemical
Melting_Point 118-121? Alfa-Aesar
Melting_Point 118-121° Alfa-Aesar
MP 120 - 122 Enamine Building Blocks
MP 120...122 Enamine Building Blocks
MP 122 TCI
BP [°C] 285 Acros Organics
Boiling_Point 288? Alfa-Aesar
Boiling_Point 288° Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Purity =>97% APIChem
H phrase H301: Toxic if swallowed Acros Organics
H phrase H301: Toxic if swallowed; H335: May cause respiratory irritation; H315: Causes skin irritation; H312: Harmful in contact with skin; H319: Causes serious eye irritation; H332: Harmful if inhaled Acros Organics
Warnings IRRITANT Matrix Scientific
P phrase P302 + P352: IF ON SKIN: Wash with plenty of soap and water Acros Organics
P phrase P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician; P280: Wear protective gloves/protective clothing/eye protection/face protection; P261: Avoid breathing dust/fume/ Acros Organics
R phrase R20/21: Harmful by inhalation and in contact with skin. Acros Organics
R phrase R20/21: Harmful by inhalation and in contact with skin.; R25: Toxic 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
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S28A: After contact with skin, wash immediately with plenty of water.; S37/39: Wear suitable gloves and eye/face protection.; S45: In case of accident or i Acros Organics
Hazard T: Toxic Acros Organics

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.