UCSF
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Analogs

4472280
4472280

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Popular Name: 2-(2,3-dimethylphenoxy)-N-[(4-hydroxy-3-methoxy-phenyl)methyleneamino]acetamide 2-(2,3-dimethylphenoxy)-N-[(4-hy…

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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) 1.90 8.15 -40.7 2 6 0 77 328.368 6 ↓

Analogs

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Popular Name: N'-[(Z)-(3-chloro-5-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]-2-(3,5-dimethylphenoxy)acetoh N'-[(Z)-(3-chloro-5-methoxy-4-ox…

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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) 3.21 8.73 -42.33 2 6 0 77 362.813 6 ↓
Hi High (pH 8-9.5) 3.40 6.19 -43.6 1 6 -1 83 361.805 6 ↓

Analogs

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Popular Name: N'-[(E)-(3-chloro-5-ethoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]-2-(3,5-dimethylphenoxy)acetohy N'-[(E)-(3-chloro-5-ethoxy-4-oxo…

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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) 3.59 9.65 -42.37 2 6 0 77 376.84 7 ↓
Hi High (pH 8-9.5) 3.77 7.11 -43.73 1 6 -1 83 375.832 7 ↓

Analogs

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Popular Name: 2-(4-chloro-3-methyl-phenoxy)-N'-[(Z)-(3-hydroxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]acetohydr 2-(4-chloro-3-methyl-phenoxy)-N'…

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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) 1.88 6.07 -36.12 3 6 0 88 334.759 5 ↓
Mid Mid (pH 6-8) 1.88 6.86 -86.05 2 6 -1 90 333.751 5 ↓

Parameters Provided:

ring.id = 229926
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 = 229926 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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