UCSF

ZINC57968670

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2011 25 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) 3.15 4.34 -13.02 2 5 0 60 350.365 9
Lo Low (pH 4.5-6) 3.15 5.7 -52.96 3 5 1 64 351.373 9

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

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