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Popular Name: 3-methyl-N-(1,3,4-thiadiazol-2-yl)benzo[g]benzofuran-2-carboxamide 3-methyl-N-(1,3,4-thiadiazol-2-y…

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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) 3.65 7.54 -15.34 1 5 0 68 309.35 2 ↓
Hi High (pH 8-9.5) 3.71 6.43 -50.27 0 5 -1 74 308.342 2 ↓

Analogs

40038029
40038029
40115532
40115532

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Popular Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methyl-benzo[g]benzofuran-2-carboxamide N-(5-butyl-1,3,4-thiadiazol-2-yl…

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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) 4.99 10.58 -14.52 1 5 0 68 365.458 5 ↓
Hi High (pH 8-9.5) 5.06 9.46 -52.33 0 5 -1 74 364.45 5 ↓

Parameters Provided:

ring.id = 110596
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 = 110596 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=110596&filter.purchasability=annotated

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