UCSF

ZINC19371708

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) -2.83 -1.42 -57.54 3 4 0 69 130.147 1
Hi High (pH 8-9.5) -2.83 -1.75 -43.99 2 4 -1 64 129.139 1
Mid Mid (pH 6-8) -2.83 -0.15 -90.67 4 4 1 73 131.155 1
Mid Mid (pH 6-8) -2.83 -1.54 -37.75 3 4 0 69 130.147 1

Vendor Notes

Note Type Comments Provided By
Mp [°C] 200 Acros Organics
MP 263 - 265 Enamine Building Blocks
MP 263...265 Enamine Building Blocks
MP 264 - 265 Enamine Building Blocks
MP 265 - 265 Enamine Building Blocks
MP 265 - 267 Enamine Building Blocks
MP 266-269° Oakwood Chemical
Melting_Point 270-273? Alfa-Aesar
Melting_Point 270-273° Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Purity 98% Fluorochem
Melting_Point ca 265? dec. Alfa-Aesar
Melting_Point ca 265° dec. Alfa-Aesar
H phrase H319: Causes serious eye irritation Acros Organics
H phrase H319: Causes serious eye irritation; H315: Causes skin 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 S24/25: Avoid contact with skin and eyes. Acros Organics
Hazard XI: Irritant Acros Organics

Activity (Go SEA)

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