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Analogs

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Popular Name: 4-[[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanylmethyl]-3-methyl-6-oxo-7H-thieno[5,4-b]pyridine-2-ca 4-[[1-(4-ethoxyphenyl)benzimidaz…

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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) 5.57 12.48 -50.74 1 7 -1 100 490.586 7 ↓
Lo Low (pH 4.5-6) 5.57 12.95 -54.41 2 7 0 101 491.594 7 ↓

Analogs

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Popular Name: 3-methyl-6-oxo-4-[(1-phenylbenzimidazol-2-yl)sulfanylmethyl]-7H-thieno[5,4-b]pyridine-2-carboxylic 3-methyl-6-oxo-4-[(1-phenylbenzi…

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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) 5.13 12.27 -50.98 1 6 -1 91 446.533 5 ↓
Lo Low (pH 4.5-6) 5.13 12.72 -52.55 2 6 0 92 447.541 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylmethyl]-3-methyl-6-oxo-7H-thieno[5,4-b]pyridine-2-c 4-[[1-(4-methoxyphenyl)benzimida…

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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) 5.19 11.56 -49.95 1 7 -1 100 476.559 6 ↓
Lo Low (pH 4.5-6) 5.19 12.01 -53.08 2 7 0 101 477.567 6 ↓

Parameters Provided:

ring.id = 118940
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 = 118940 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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