UCSF

MPO HIts (Public by smithft) High Binding Myeloperoxidase Hits Purchasability Report

ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (4S,5S)-5-ethyl-3-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-4-hydroxy-4,5-dimethyl-oxazolidin-2-one (4S,5S)-5-ethyl-3-[2-(5-fluoro-2…

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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) 2.50 -1.02 -12.03 2 5 0 65 334.391 4 ↓

Analogs

2596978
2596978

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Popular Name: 2-{[2-(1H-indol-3-yl)ethyl]amino}-4-(4-methylphenyl)-4-oxobutanoic acid 2-{[2-(1H-indol-3-yl)ethyl]amino…

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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) 1.70 -0.23 -32.98 3 5 0 89 350.418 8 ↓