UCSF

ZINC57724332

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2011 20 Yes

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) 3.91 5.68 -47.79 0 4 -1 61 323.806 3
Mid Mid (pH 6-8) 4.84 5.97 -14.03 1 4 0 62 324.814 2

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

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