UCSF

ZINC57917309

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2011 24 Yes

Download: MOL2 SDF SMILES Flexibase

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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) 2.55 3.87 -14.54 1 5 0 57 338.354 4
Mid Mid (pH 6-8) 2.55 6.14 -57.55 2 5 1 58 339.362 4

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

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