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Analogs

4168941
4168941

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Popular Name: 2-[1-(2-methoxyanilino)pentylidene]-5-phenyl-1,3-cyclohexanedione 2-[1-(2-methoxyanilino)pentylide…

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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) 5.66 11.96 -14.29 0 4 0 62 376.476 7 ↓
Mid Mid (pH 6-8) 5.12 12.32 -7.68 1 4 0 55 377.484 7 ↓
Lo Low (pH 4.5-6) 5.66 9.86 -11.98 1 4 0 59 377.484 7 ↓

Analogs

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Popular Name: 2-[(2-methoxyanilino)methylene]-5-phenylcyclohexane-1,3-dione 2-[(2-methoxyanilino)methylene]-…

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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) 3.65 9.3 -47.09 0 4 -1 62 320.368 4 ↓
Mid Mid (pH 6-8) 2.73 9.47 -9.74 1 4 0 55 321.376 4 ↓
Lo Low (pH 4.5-6) 3.65 8.13 -37.08 2 4 1 61 322.384 4 ↓

Parameters Provided:

ring.id = 149585
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 = 149585 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=149585&filter.purchasability=annotated

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