UCSF

ZINC54428258

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2010 25 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) 3.85 8.9 -10.14 1 4 0 45 353.784 2
Lo Low (pH 4.5-6) 3.85 9.36 -46.81 2 4 1 46 354.792 2

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

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