UCSF

ZINC57218770

Substance Information

In ZINC since Heavy atoms Benign functionality
January 17th, 2011 11 Yes

Other Names:

MFCD17977149

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) 0.68 0.44 -11.49 2 3 0 41 168.221 0
Lo Low (pH 4.5-6) 0.68 0.52 -42.5 3 3 1 46 169.229 0

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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

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