UCSF

ZINC03632771

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 19 Yes

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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) 2.48 6.78 -35.36 3 2 1 37 254.353 3
Hi High (pH 8-9.5) 2.48 5.48 -3.8 2 2 0 32 253.345 3

Vendor Notes

Note Type Comments Provided By
Melting_Point 76-78? Alfa-Aesar
Melting_Point 76-78° Alfa-Aesar
MP 78 TCI
Purity 95+% Matrix Scientific
Purity 98% Fluorochem
Warnings IRRITANT Matrix Scientific
PUBCHEM_PATENT_ID US5079359; US5212311 IBM Patent Data

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