UCSF

ZINC01446435

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) -0.93 0.2 -13.52 1 4 0 58 115.088 0

Vendor Notes

Note Type Comments Provided By
MP 100 TCI
MP 44-46° Oakwood Chemical
purity 9.500000000000000e+001 Enamine Building Blocks
Mp [°C] 93 - 95 Acros Organics
Melting_Point 94-99? Alfa-Aesar
Melting_Point 94-99° Alfa-Aesar
purity 95 Enamine Building Blocks
MP 95 - 98 Enamine Building Blocks
MP 95-98 °C(lit.) Indofine
MP 95...98 Enamine Building Blocks
MP 96-98° Oakwood Chemical
MP 98 TCI
Purity 98% Fluorochem
Purity 98.05% Fluorochem
Purity 99% APIChem
H phrase H315: Causes skin irritation Acros Organics
H phrase H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water Acros Organics
R phrase 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.; S37/39: Wear suitable gloves and eye/face protection. Acros Organics
Hazard XI: Irritant Acros Organics

Activity (Go SEA)

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

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