UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12003283
12003283
12005878
12005878

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Popular Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide N-(2,3-dihydro-1,4-benzodioxin-6…

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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) 1.72 -4.47 -28.95 1 8 0 102 402.428 3 ↓

Analogs

12005878
12005878
12003278
12003278

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Popular Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide N-(2,3-dihydro-1,4-benzodioxin-6…

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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) 1.72 -4.67 -28.88 1 8 0 102 402.428 3 ↓

Analogs

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Popular Name: 4-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide 4-chloro-N-(2,3-dihydro-1,4-benz…

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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) 1.87 -4.84 -29.07 1 8 0 102 422.846 3 ↓

Analogs

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Popular Name: 2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide 2-chloro-N-(2,3-dihydro-1,4-benz…

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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) 1.87 -5.07 -24.12 1 8 0 102 422.846 3 ↓

Analogs

12207273
12207273
12207279
12207279

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Popular Name: 2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benz 2-chloro-N-(2,3-dihydro-1,4-benz…

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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) 2.76 -4.17 -20.78 1 8 0 102 450.9 3 ↓

Analogs

32537102
32537102
32537103
32537103

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Popular Name: 4-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benz 4-chloro-N-(2,3-dihydro-1,4-benz…

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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) 2.76 -4.12 -26.69 1 8 0 102 450.9 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide N-(2,3-dihydro-1,4-benzodioxin-6…

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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) 1.24 -4.95 -30.07 1 8 0 102 388.401 3 ↓

Analogs

12003278
12003278
12003283
12003283

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide N-(2,3-dihydro-1,4-benzodioxin-6…

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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) 2.13 -4.26 -28.06 1 8 0 102 416.455 3 ↓

Parameters Provided:

ring.id = 71479
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 = 71479 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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