UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

35504289
35504289
35504292
35504292
35504315
35504315
35504323
35504323
35504326
35504326

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Popular Name: N-(2,6-dimethylphenyl)-2-(4-methyl-1,1,3-trioxo-5-phenyl-isothiazol-2-yl)acetamide N-(2,6-dimethylphenyl)-2-(4-meth…

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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) 2.33 6.71 -18.72 1 6 0 84 384.457 4 ↓

Analogs

35504289
35504289
35504292
35504292
35504315
35504315
35504323
35504323
35504326
35504326

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Popular Name: 2-(4-methyl-1,1,3-trioxo-5-phenyl-isothiazol-2-yl)-N-(o-tolyl)acetamide 2-(4-methyl-1,1,3-trioxo-5-pheny…

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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) 2.86 6.04 -19.97 1 6 0 84 370.43 4 ↓

Analogs

35504286
35504286
35504289
35504289
35504292
35504292
35504312
35504312
35504315
35504315

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Popular Name: N-(4-fluorophenyl)-2-[5-(4-isopropylphenyl)-4-methyl-1,1,3-trioxo-isothiazol-2-yl]acetamide N-(4-fluorophenyl)-2-[5-(4-isopr…

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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) 4.14 7.24 -19.87 1 6 0 84 416.474 5 ↓

Parameters Provided:

ring.id = 90525
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 90525 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=90525&filter.purchasability=annotated

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