UCSF

ZINC19720118

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2008 13 Yes

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) 0.84 3.73 -5.46 2 3 0 52 179.219 4

Vendor Notes

Note Type Comments Provided By
MP 147 - 149 Enamine Building Blocks
MP 147...149 Enamine Building Blocks
Mp [°C] 157 - 159 Acros Organics
Melting_Point 158-162? Alfa-Aesar
Melting_Point 158-162° Alfa-Aesar
MP 158-162°C Indofine
MP 159-163 °C(lit.) Indofine
MP 159-163° Oakwood Chemical
MP 160 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Fluorochem
Melting_Point ca 160? dec. Alfa-Aesar
Melting_Point ca 160° dec. Alfa-Aesar

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