UCSF

ZINC00164590

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) 3.00 -1.48 -5.27 0 1 0 13 236.894 0
Lo Low (pH 4.5-6) 3.00 -1.37 -27.43 1 1 1 14 237.902 0

Vendor Notes

Note Type Comments Provided By
MP 117-119° Fluorochem
Melting_Point 117-120? Alfa-Aesar
Melting_Point 117-120° Alfa-Aesar
Mp [°C] 118 - 119 Acros Organics
MP 118-119° Matrix Scientific
MP 118...119 Enamine Building Blocks
MP 119 TCI
BP 249 TCI
BP 249° Matrix Scientific
Boiling_Point 255? Alfa-Aesar
Boiling_Point 255° Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Matrix Scientific
H phrase H300: Fatal if swallowed; H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation Acros Organics
H phrase H312: Harmful in contact with skin Acros Organics
Warnings IRRITANT Matrix Scientific
P phrase P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician Acros Organics
P phrase P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician; P280: Wear protective gloves/protective clothing/eye protection/face protection; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P261: Avoid breathing dust/fume/ Acros Organics
R phrase R20/21: Harmful by inhalation and in contact with skin. Acros Organics
R phrase 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
melting_point Solid KeyOrganics
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.