UCSF

ZINC49375920

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2010 11 Yes

Download: MOL2 SDF SMILES Flexibase

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) 1.66 1.94 -6.9 2 2 0 43 218.025 1

Vendor Notes

Note Type Comments Provided By
Melting_Point 153-155? Alfa-Aesar
MP 167 - 169 Enamine Building Blocks
MP 167...169 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95%+ Fluorochem

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Rings

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

No pre-computed analogs available. Try a structural similarity search.