UCSF

ZINC02529895

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 8 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) 1.34 2.87 -2.31 0 1 0 13 115.082 0

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks
bp 92 - 93 MolMall (formerly Molecular Diversity Preservation International)
Boiling_Point 92-93? Alfa-Aesar
BP 92-93° Matrix Scientific
BP 93-94° Oakwood Chemical
purity 95 Enamine Building Blocks
Purity 98% Matrix Scientific
Hazard F: Highly flammable; N: Dangerous for the environment Acros Organics
Warnings Flammable Matrix Scientific
H phrase H225: Highly flammable liquid and vapor; H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation; H400: Very toxic to aquatic life Acros Organics
Warnings IRRITANT, FLAMMABLE Matrix Scientific
P phrase P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking; P280: Wear protective gloves/protective clothing/eye protection/face protection; P303 + P361 + P353: IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin Acros Organics
R phrase R11: Highly flammable.; R36/37/38: Irritating to eyes, respiratory system and skin.; R50: Very toxic to aquatic organisms. Acros Organics

Activity (Go SEA)

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

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