UCSF

ZINC55503713

Substance Information

In ZINC since Heavy atoms Benign functionality
December 15th, 2010 21 No

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) 4.37 8.68 -8.14 1 3 0 46 379.304 1
Hi High (pH 8-9.5) 4.83 7.01 -42.63 0 3 -1 49 378.296 1

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

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