UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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

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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) -2.01 4.58 -39.89 3 8 1 100 436.488 7 ↓
Mid Mid (pH 6-8) -1.37 1.98 -39.85 3 8 1 103 436.488 6 ↓
Mid Mid (pH 6-8) -1.37 2.76 -22 2 8 0 106 435.48 6 ↓

Analogs

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

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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) -1.98 4.54 -39.36 3 8 1 100 436.488 7 ↓
Mid Mid (pH 6-8) -1.35 1.95 -39.42 3 8 1 103 436.488 6 ↓
Mid Mid (pH 6-8) -1.35 2.73 -21.67 2 8 0 106 435.48 6 ↓

Analogs

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

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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) -1.87 7.84 -39.36 2 7 1 82 434.516 7 ↓
Mid Mid (pH 6-8) -1.23 6.02 -22.09 1 7 0 88 433.508 6 ↓

Parameters Provided:

ring.id = 52682
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 = 52682 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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