UCSF

ZINC53431519

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 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) 2.55 4.77 -11.57 1 6 0 56 352.523 9
Lo Low (pH 4.5-6) 2.55 6.97 -39.32 2 6 1 57 353.531 9
Lo Low (pH 4.5-6) 2.55 6.98 -38.98 2 6 1 57 353.531 9

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

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