UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

1943446
1943446
1966416
1966416

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Popular Name: 2-[3-(2,5-dimethylphenoxy)-4-keto-chromen-7-yl]oxyacetic-acid-benzyl-ester 2-[3-(2,5-dimethylphenoxy)-4-ket…

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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) 5.82 4.76 -15.55 0 6 0 74 430.456 8 ↓

Analogs

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Popular Name: (2S)-2-[3-(2,5-dimethylphenoxy)-4-keto-chromen-7-yl]oxypropionic-acid-benzyl-ester (2S)-2-[3-(2,5-dimethylphenoxy)-…

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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) 6.18 5.05 -14.49 0 6 0 74 444.483 8 ↓

Analogs

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Popular Name: (2R)-2-[3-(2,5-dimethylphenoxy)-4-keto-chromen-7-yl]oxypropionic-acid-benzyl-ester (2R)-2-[3-(2,5-dimethylphenoxy)-…

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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) 6.18 5.06 -14.63 0 6 0 74 444.483 8 ↓

Analogs

33595324
33595324

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Popular Name: 2-[4-keto-3-(2-methoxyphenoxy)-2-methyl-chromen-7-yl]oxyacetic-acid-benzyl-ester 2-[4-keto-3-(2-methoxyphenoxy)-2…

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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) 5.02 4.53 -19.12 0 7 0 84 446.455 9 ↓

Parameters Provided:

ring.id = 222559
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 = 222559 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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