UCSF
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Analogs

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Popular Name: N-(4-ethoxyphenyl)-4-[[(2-morpholino-3,4-dioxo-cyclobuten-1-yl)amino]methyl]cyclohexanecarboxamide N-(4-ethoxyphenyl)-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) -0.45 2.73 -26.01 2 8 0 106 441.528 6 ↓
Hi High (pH 8-9.5) -0.45 3.69 -20.5 2 8 0 106 441.528 6 ↓
Mid Mid (pH 6-8) -0.45 2.87 -33.15 3 8 1 103 442.536 6 ↓

Analogs

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Popular Name: 4-[[(2-morpholino-3,4-dioxo-cyclobuten-1-yl)amino]methyl]-N-(o-tolyl)cyclohexanecarboxamide 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) -1.12 6.26 -37.82 3 7 1 91 412.51 5 ↓
Hi High (pH 8-9.5) -0.48 4.48 -20.79 2 7 0 97 411.502 4 ↓
Mid Mid (pH 6-8) -0.48 3.58 -36.3 3 7 1 94 412.51 4 ↓

Parameters Provided:

ring.id = 57532
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 = 57532 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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