UCSF

ZINC52569414

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2010 24 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) 0.45 4.67 -15.44 1 7 0 89 329.404 8
Lo Low (pH 4.5-6) 0.45 5.13 -43.1 2 7 1 91 330.412 8

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

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