UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-cyclopropyl-N-[(3R)-2,5-dioxopyrrolidin-3-yl]-2-(2-fluorophenoxy)acetamide N-cyclopropyl-N-[(3R)-2,5-dioxop…

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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) 0.56 2.03 -64.94 0 6 -1 82 305.285 5 ↓
Lo Low (pH 4.5-6) 0.37 4.56 -21.8 1 6 0 76 306.293 5 ↓
Lo Low (pH 4.5-6) 0.37 4.66 -23.25 1 6 0 76 306.293 5 ↓

Analogs

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Popular Name: 2-(4-cyano-2-methoxy-phenoxy)-N-cyclopropyl-N-[(3R)-2,5-dioxopyrrolidin-3-yl]acetamide 2-(4-cyano-2-methoxy-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) -0.21 2.19 -65.58 0 8 -1 115 342.331 6 ↓
Lo Low (pH 4.5-6) -0.40 4.75 -24.53 1 8 0 109 343.339 6 ↓
Lo Low (pH 4.5-6) -0.40 4.66 -23.03 1 8 0 109 343.339 6 ↓

Analogs

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Popular Name: 2-(3-acetylphenoxy)-N-cyclopropyl-N-[(3R)-2,5-dioxopyrrolidin-3-yl]acetamide 2-(3-acetylphenoxy)-N-cyclopropy…

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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) 0.32 2.52 -72.16 0 7 -1 99 329.332 6 ↓
Lo Low (pH 4.5-6) 0.13 5.09 -27.78 1 7 0 93 330.34 6 ↓
Lo Low (pH 4.5-6) 0.13 4.99 -26.42 1 7 0 93 330.34 6 ↓

Parameters Provided:

ring.id = 372009
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 = 372009 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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