UCSF

ZINC51171327

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2010 21 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) 5.47 10.1 -50.02 3 1 1 28 312.845 2
Mid Mid (pH 6-8) 5.47 9.77 -5.3 2 1 0 26 311.837 2

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

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