UCSF

ZINC01529074

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) 1.97 2.95 -3.43 0 2 0 26 193.431 0

Vendor Notes

Note Type Comments Provided By
MP 77 - 79 Enamine Building Blocks
MP 77-79° Fluorochem
Melting_Point 77-80? Alfa-Aesar
Melting_Point 77-80° Alfa-Aesar
MP 77...79 Enamine Building Blocks
MP 78 TCI
Mp [°C] 78 - 80 Acros Organics
MP 78-80° Matrix Scientific
Purity 85% Fluorochem
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
BP 95 / 15 TCI
Boiling_Point 95?/15mm Alfa-Aesar
BP 95°/15 Torr Matrix Scientific
Boiling_Point 95°/15mm Alfa-Aesar
Purity 98% Matrix Scientific
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
Warnings IRRITANT Matrix Scientific
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.