UCSF

ZINC00406909

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 15 Yes

Download: MOL2 SDF SMILES Flexibase

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) 2.90 5.6 -6.62 1 2 0 29 200.237 3

Vendor Notes

Note Type Comments Provided By
BP 215 / 20 TCI
Mp [°C] 35 - 40 Acros Organics
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
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/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minute Acros Organics
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics
Purity ¡Ý98.0% APIChem

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