UCSF

ZINC00050678

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Vendors

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) -0.38 3.61 -43.44 3 3 0 68 199.637 3
Hi High (pH 8-9.5) 1.81 5.14 -6.78 1 2 0 29 134.182 2

Vendor Notes

Note Type Comments Provided By
Melting_Point 214-216? dec. Alfa-Aesar
Melting_Point 214-216° dec. Alfa-Aesar
melting_point 225 - 227 KeyOrganics
Mp [°C] 243 - 245 Acros Organics
MP 243...245 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95+% Matrix Scientific
Purity 97% Fluorochem
Warnings IRRITANT Matrix Scientific
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

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