UCSF

ZINC57917027

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2011 22 No

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) 0.26 2.84 -9.21 2 6 0 80 299.33 6
Lo Low (pH 4.5-6) 0.26 3.3 -40.49 3 6 1 82 300.338 6

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

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