UCSF

ZINC39267439

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 35 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) 2.77 13.37 -54.11 1 8 1 72 488.641 4
Hi High (pH 8-9.5) 2.77 11.07 -12.74 0 8 0 70 487.633 4

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

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