UCSF
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Analogs

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Popular Name: 4-[(2-isopropyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]-3,5-dimethyl-isoxazole 4-[(2-isopropyl-1-methyl-6,7-dih…

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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) 1.72 6.89 -32.53 1 5 1 48 289.403 3 ↓
Lo Low (pH 4.5-6) 1.72 9.12 -105.64 2 5 2 50 290.411 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-dimethyl-4-[(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]isoxazole 3,5-dimethyl-4-[(1-methyl-6,7-di…

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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) -0.27 5.97 -37.62 1 5 1 48 247.322 2 ↓
Hi High (pH 8-9.5) -0.27 5.51 -14.14 0 5 0 47 246.314 2 ↓
Lo Low (pH 4.5-6) -0.27 8.17 -107.9 2 5 2 50 248.33 2 ↓

Parameters Provided:

ring.id = 355638
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 = 355638 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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