UCSF

ZINC65532524

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 25 Yes

Popular Name: {[(4-ethoxyphenyl)sulfonyl]-4-methylanilino}acetic acid {[(4-ethoxyphenyl)sulfonyl]-4-me…

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Download: MOL2 SDF SMILES Flexibase

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) 0.67 5.84 -52.19 2 8 1 86 363.467 5 ↓
Mid Mid (pH 6-8) 0.67 2.95 -20.72 1 8 0 85 362.459 5 ↓

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Rings

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

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