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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: 3-chloro-4-methyl-2-[(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]quinoline 3-chloro-4-methyl-2-[(1-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) 2.62 8.78 -32.75 1 4 1 35 327.839 2 ↓
Hi High (pH 8-9.5) 2.62 8.31 -13.29 0 4 0 34 326.831 2 ↓
Lo Low (pH 4.5-6) 2.62 9.51 -75.04 2 4 2 36 328.847 2 ↓

Analogs

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Popular Name: 2-[[(4R)-4-(2-methylsulfanylethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]quinolin-8-ol 2-[[(4R)-4-(2-methylsulfanylethy…

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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) 2.44 6.73 -40.68 3 5 1 66 355.487 5 ↓
Hi High (pH 8-9.5) 2.44 6.26 -13.72 2 5 0 65 354.479 5 ↓
Mid Mid (pH 6-8) 2.44 8.63 -61.55 2 5 0 69 354.479 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(4S)-4-(2-methylsulfanylethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]quinolin-8-ol 2-[[(4S)-4-(2-methylsulfanylethy…

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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) 2.44 7.05 -38.61 3 5 1 66 355.487 5 ↓
Hi High (pH 8-9.5) 2.44 6.57 -11.29 2 5 0 65 354.479 5 ↓
Mid Mid (pH 6-8) 2.44 9.06 -52.09 2 5 0 69 354.479 5 ↓

Parameters Provided:

ring.id = 479169
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 = 479169 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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