UCSF

ZINC67802757

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2011 13 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) 1.28 0.78 -45.44 3 3 1 46 180.227 2
Mid Mid (pH 6-8) 1.28 0.41 -4.6 2 3 0 44 179.219 2

Vendor Notes

Note Type Comments Provided By
MP 176-178° (dec.) Oakwood Chemical
Purity 95% Fluorochem

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

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