UCSF

ZINC00409248

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 10 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) 2.98 -0.44 -3.29 1 1 0 20 156.612 1

Vendor Notes

Note Type Comments Provided By
MP 45 - 50 Enamine Building Blocks
MP 45...50 Enamine Building Blocks
MP 49 TCI
Mp [°C] 49.4 - 54.3 Acros Organics
BP [°C] 70 - 80 (p=0.2 torr) 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/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with wate Acros Organics

Activity (Go SEA)

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