UCSF

ZINC19370339

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 9 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) 0.03 1.31 -36.85 2 2 1 20 127.211 0
Mid Mid (pH 6-8) 0.03 2.06 -28.75 2 2 1 16 127.211 0
Mid Mid (pH 6-8) 0.03 3.45 -107.31 3 2 2 21 128.219 0

Vendor Notes

Note Type Comments Provided By
Boiling_Point 65-69?/3mm Alfa-Aesar
Boiling_Point 65-69°/3mm Alfa-Aesar
BP 74-75°/10 Torr Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Purity 97% Fluorochem
Warnings IRRITANT Matrix Scientific

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