UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12002842
12002842
19797472
19797472

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Popular Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide N-(1,3-benzodioxol-5-ylmethyl)-3…

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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) 1.80 -5.23 -25 1 8 0 102 402.428 4 ↓

Analogs

19797472
19797472
12002838
12002838

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Popular Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide N-(1,3-benzodioxol-5-ylmethyl)-3…

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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) 1.80 -5.23 -24.99 1 8 0 102 402.428 4 ↓

Analogs

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Popular Name: N-(1,3-benzodioxol-5-ylmethyl)-2-chloro-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide N-(1,3-benzodioxol-5-ylmethyl)-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) 1.96 -5.64 -21.43 1 8 0 102 422.846 4 ↓

Analogs

32536864
32536864
32536865
32536865

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Popular Name: N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide N-(1,3-benzodioxol-5-ylmethyl)-4…

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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) 2.84 -4.91 -23.31 1 8 0 102 450.9 4 ↓

Analogs

12204733
12204733
12204744
12204744

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Popular Name: N-(1,3-benzodioxol-5-ylmethyl)-2-chloro-5-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide N-(1,3-benzodioxol-5-ylmethyl)-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) 2.84 -4.94 -18.67 1 8 0 102 450.9 4 ↓

Parameters Provided:

ring.id = 71254
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 = 71254 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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