UCSF

ZINC52876394

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 25 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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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) 5.46 11.57 -7.99 1 3 0 32 370.802 6
Mid Mid (pH 6-8) 5.46 10.83 -33.52 2 3 1 34 371.81 6

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

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