UCSF

ZINC17744343

Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2008 12 No

Download: MOL2 SDF SMILES Flexibase

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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) 1.14 3 -7.99 2 4 0 65 186.236 3
Lo Low (pH 4.5-6) 1.14 3.26 -33.02 3 4 1 66 187.244 3

Vendor Notes

Note Type Comments Provided By
Melting_Point 172-176? Alfa-Aesar
Melting_Point 172-176° Alfa-Aesar
MP 176 - 180 Enamine Building Blocks
MP 176-180° Matrix Scientific
MP 176...180 Enamine Building Blocks
melting_point 188 - 190 KeyOrganics
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Purity 97% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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