UCSF

ZINC05017820

Substance Information

In ZINC since Heavy atoms Benign functionality
January 16th, 2006 16 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) -1.36 -2.07 -59.39 1 6 -1 89 230.24 3
Hi High (pH 8-9.5) 3.60 12.47 -47.04 1 5 1 46 398.571 5

Vendor Notes

Note Type Comments Provided By
MP 123-127 °C(lit.) Indofine
MP 145 - 147 Enamine Building Blocks
MP 145...147 Enamine Building Blocks
MP 146-151° Oakwood Chemical
melting_point 60 - 62 KeyOrganics
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Melting_Point ca 145? dec. Alfa-Aesar
MP ca 145° dec Matrix Scientific
Melting_Point ca 145° dec. Alfa-Aesar
Warnings IRRITANT Matrix Scientific

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