UCSF
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Analogs

40177074
40177074

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Popular Name: N-(2-methyl-4-quinolyl)-2-pyrrolidin-1-yl-acetamide N-(2-methyl-4-quinolyl)-2-pyrrol…

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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) 2.40 6.5 -32.98 2 4 1 50 270.356 2 ↓
Hi High (pH 8-9.5) 2.40 4.13 -16.62 1 4 0 48 269.348 2 ↓
Lo Low (pH 4.5-6) 2.40 7.49 -85.84 3 4 2 51 271.364 2 ↓

Analogs

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Popular Name: N-(2-ethyl-3-methyl-4-quinolyl)-2-pyrrolidin-1-yl-acetamide N-(2-ethyl-3-methyl-4-quinolyl)-…

Find On: PubMed — Wikipedia — Google

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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) 3.35 7.23 -34.61 2 4 1 50 298.41 3 ↓
Hi High (pH 8-9.5) 3.35 4.83 -16.11 1 4 0 48 297.402 3 ↓
Lo Low (pH 4.5-6) 3.35 8.29 -85.74 3 4 2 51 299.418 3 ↓

Parameters Provided:

ring.id = 412461
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 = 412461 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=412461&filter.purchasability=annotated

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