UCSF

ZINC54422385

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) 3.07 3.49 -8.03 1 5 0 45 370.921 9
Mid Mid (pH 6-8) 3.07 5.71 -38.46 2 5 1 46 371.929 9
Mid Mid (pH 6-8) 3.07 5.78 -38.13 2 5 1 46 371.929 9

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

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