UCSF
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Analogs

9151254
9151254

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Popular Name: 4-[(3-benzylimidazo[5,4-b]pyridin-2-yl)sulfanylmethyl]-N-(3-pyridylmethyl)benzamide 4-[(3-benzylimidazo[5,4-b]pyridi…

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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) 4.06 13.39 -16.99 1 6 0 73 465.582 8 ↓
Lo Low (pH 4.5-6) 4.06 13.83 -53.31 2 6 1 74 466.59 8 ↓

Analogs

9151283
9151283

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Popular Name: 4-[[3-[(4-fluorophenyl)methyl]imidazo[5,4-b]pyridin-2-yl]sulfanylmethyl]-N-(3-pyridylmethyl)benzamid 4-[[3-[(4-fluorophenyl)methyl]im…

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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) 4.22 13.46 -16.89 1 6 0 73 483.572 8 ↓
Lo Low (pH 4.5-6) 4.22 13.91 -52.92 2 6 1 74 484.58 8 ↓

Parameters Provided:

ring.id = 84358
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 = 84358 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=84358&filter.purchasability=annotated

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