UCSF
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Analogs

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Popular Name: N-(4-acetylphenyl)-4-[[(2-morpholino-3,4-dioxo-cyclobuten-1-yl)amino]methyl]benzamide N-(4-acetylphenyl)-4-[[(2-morpho…

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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) -1.18 3.01 -26.43 2 8 0 114 433.464 5 ↓
Mid Mid (pH 6-8) -1.18 2.23 -46.01 3 8 1 111 434.472 5 ↓

Analogs

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Popular Name: N-(3,5-dimethylphenyl)-4-[[(2-morpholino-3,4-dioxo-cyclobuten-1-yl)amino]methyl]benzamide N-(3,5-dimethylphenyl)-4-[[(2-mo…

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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) -0.26 3.85 -24.44 2 7 0 97 419.481 4 ↓
Mid Mid (pH 6-8) -0.26 3.07 -42.96 3 7 1 94 420.489 4 ↓
Mid Mid (pH 6-8) -0.26 3.85 -39.77 3 7 1 94 420.489 4 ↓

Analogs

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Popular Name: 4-[[(2-morpholino-3,4-dioxo-cyclobuten-1-yl)amino]methyl]-N-(p-tolyl)benzamide 4-[[(2-morpholino-3,4-dioxo-cycl…

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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) -0.63 3.19 -24.4 2 7 0 97 405.454 4 ↓
Mid Mid (pH 6-8) -0.63 2.41 -42.86 3 7 1 94 406.462 4 ↓
Mid Mid (pH 6-8) -0.63 3.2 -39.74 3 7 1 94 406.462 4 ↓

Parameters Provided:

ring.id = 52666
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 = 52666 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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