UCSF

ZINC02553922

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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) 1.36 3.73 -41.49 2 1 1 17 140.231 0

Vendor Notes

Note Type Comments Provided By
melting_point 2.200000000000000e+002 - 2.220000000000000e+002 KeyOrganics
melting_point 220 - 222 KeyOrganics
Melting_Point 222-224? Alfa-Aesar
MP 222-224° Matrix Scientific
MP 226 - 228 Enamine Building Blocks
MP 226...228 Enamine Building Blocks
BP 75 / 0.5 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 96% Fluorochem
Purity 97% Matrix Scientific
Purity 99 APIChem
PUBCHEM_PATENT_ID EP0666260A1; EP0666260B1; US5550125 IBM Patent Data
Warnings IRRITANT Matrix Scientific

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