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Popular Name: 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-1,3,4-thiadiazole-2-thione 3-(6,7-dihydro-4H-thieno[3,2-c]p…

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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) 1.67 5.61 -12.03 0 3 0 21 269.42 2 ↓
Lo Low (pH 4.5-6) 1.67 7.88 -40.43 1 3 1 22 270.428 2 ↓

Analogs

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Popular Name: 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-isopropoxy-1,3,4-thiadiazole-2-thione 3-(6,7-dihydro-4H-thieno[3,2-c]p…

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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) 2.59 5.31 -7.33 0 4 0 30 327.5 4 ↓
Lo Low (pH 4.5-6) 2.59 5.94 -33.4 1 4 1 32 328.508 4 ↓
Lo Low (pH 4.5-6) 2.59 7.58 -38.63 1 4 1 31 328.508 4 ↓

Parameters Provided:

ring.id = 127759
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 = 127759 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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