UCSF

ZINC56693044

Substance Information

In ZINC since Heavy atoms Benign functionality
January 7th, 2011 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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Vendors

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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) 3.27 6.9 -13.03 3 6 0 73 374.872 7
Lo Low (pH 4.5-6) 3.27 7.32 -31.85 4 6 0 75 375.88 7

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

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