UCSF
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Analogs

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Popular Name: 1-methyl-5-[2-(trifluoromethylsulfonyl)phenyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine 1-methyl-5-[2-(trifluoromethylsu…

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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) 3.98 7.5 -35.02 1 5 1 56 346.354 3 ↓
Hi High (pH 8-9.5) 3.98 7.04 -11.94 0 5 0 55 345.346 3 ↓

Analogs

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Popular Name: 2-fluoro-6-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)benzonitrile 2-fluoro-6-(1-methyl-6,7-dihydro…

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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) 0.99 9.68 -33.99 1 4 1 46 257.292 1 ↓
Hi High (pH 8-9.5) 0.99 9.22 -14.02 0 4 0 45 256.284 1 ↓

Parameters Provided:

ring.id = 386111
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 = 386111 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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