UCSF

ZINC41587967

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 31 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 9.78 -10.35 0 5 0 56 432.907 4
Lo Low (pH 4.5-6) 4.37 10.26 -41.67 1 5 1 57 433.915 4
Lo Low (pH 4.5-6) 4.37 12.66 -51.98 1 5 1 57 433.915 4

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

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