UCSF

ZINC59447922

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2011 45 No

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 8.59 16.32 -112.18 6 6 2 99 610.887 12
Hi High (pH 8-9.5) 8.59 16.27 -58.66 5 6 1 94 609.879 12
Hi High (pH 8-9.5) 8.59 15.28 -55.6 5 6 1 94 609.879 12
Hi High (pH 8-9.5) 8.59 15.34 -57.43 5 6 1 94 609.879 12

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