UCSF

ZINC02599049

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 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) 2.50 -0.5 -1.83 0 1 0 13 192.443 0

Vendor Notes

Note Type Comments Provided By
MP 77 - 81 Enamine Building Blocks
MP 77-81° Oakwood Chemical
MP 77...81 Enamine Building Blocks
Melting_Point 78-81? Alfa-Aesar
Melting_Point 78-81° Alfa-Aesar
Mp [°C] 78.7 - 80.1 Acros Organics
MP 80 TCI
MP 81-82° Oakwood Chemical
MP 81.2-81.5° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 96% Matrix Scientific
Purity 98% Fluorochem
PUBCHEM_PATENT_ID EP0302389A2; EP0302389B1; EP0509559A3; EP0511865A1; EP0511865B1; EP0529680A2; EP0529680B1; US5175301; US5191084; US5214152; US5250700; US5849768; US5935981; US6124297; WO1998004547A1 IBM Patent Data
H phrase H301: Toxic if swallowed; H315: Causes skin irritation; H318: Causes serious eye damage; H335: May cause respiratory irritation Acros Organics
H phrase H302: Harmful if swallowed Acros Organics
Warnings IRRITANT Matrix Scientific
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P261: Avoid breathing dus Acros Organics
R phrase R22: Harmful if swallowed.; R41: Risk of serious damage to eyes.; R37/38: Irritating to respiratory system and skin. Acros Organics
Hazard XN: Harmful Acros Organics

Activity (Go SEA)

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

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