UCSF

ZINC52831504

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 12 Yes

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) -0.56 0.84 -51.33 4 4 1 65 165.22 2
Mid Mid (pH 6-8) -0.56 1.01 -91.83 5 4 2 67 166.228 2
Mid Mid (pH 6-8) -0.56 1 -89.5 5 4 2 67 166.228 2

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

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