UCSF

ZINC54898176

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 28 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) 1.68 5.4 -13.56 3 7 0 91 382.464 9
Lo Low (pH 4.5-6) 1.68 5.82 -88.52 4 7 0 92 383.472 9

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

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