UCSF
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Analogs

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Popular Name: 2-tert-butyl-7-methyl-6-(2-methylthiazol-4-yl)-5-oxo-1H-imidazo[1,2-a]pyridine-8-carbonitrile 2-tert-butyl-7-methyl-6-(2-methy…

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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) 3.48 7.51 -39.05 0 5 -1 77 325.417 2 ↓

Analogs

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Popular Name: 2-tert-butyl-5-chloro-7-methyl-6-(2-methylthiazol-4-yl)imidazo[1,2-a]pyridine-8-carbonitrile 2-tert-butyl-5-chloro-7-methyl-6…

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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) 4.38 10.13 -10.13 0 4 0 54 344.871 2 ↓

Analogs

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Popular Name: 7-methyl-6-(2-methylthiazol-4-yl)-5-oxo-1H-imidazo[1,2-a]pyridine-8-carbonitrile 7-methyl-6-(2-methylthiazol-4-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) 1.53 5.02 -37.35 0 5 -1 77 269.309 1 ↓

Analogs

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Popular Name: 5-chloro-7-methyl-6-(2-methylthiazol-4-yl)imidazo[1,2-a]pyridine-8-carbonitrile 5-chloro-7-methyl-6-(2-methylthi…

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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) 2.43 7.63 -10.36 0 4 0 54 288.763 1 ↓

Parameters Provided:

ring.id = 195885
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 = 195885 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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