UCSF

ZINC04737099

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 2nd, 2006 26 No

Popular Name: N-(4-ethoxyphenyl)-5,5-dimethyl-4,9-dioxo-2-sulfanyl-1,3,6-triazabicyclo[4.3.0]non-2-ene-7-carboxami N-(4-ethoxyphenyl)-5,5-dimethyl-…

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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) 1.21 4.62 -29.35 2 8 0 91 376.438 4 ↓
Mid Mid (pH 6-8) 1.39 3.54 -65.05 1 8 -1 97 375.43 4 ↓

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

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