UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-(4-ethylphenyl)butane-1,4-dione 1-(1,1-dioxo-1,2-thiazolidin-2-y…

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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) 1.77 5.44 -17.87 0 5 0 72 309.387 5 ↓

Analogs

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Popular Name: 1-(2,5-dimethylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)butane-1,4-dione 1-(2,5-dimethylphenyl)-4-(1,1-di…

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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) 1.68 5.35 -17.22 0 5 0 72 309.387 4 ↓

Analogs

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Popular Name: 1-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-(4-propylphenyl)butane-1,4-dione 1-(1,1-dioxo-1,2-thiazolidin-2-y…

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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) 2.16 6.22 -17.74 0 5 0 72 323.414 6 ↓

Analogs

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Popular Name: 1-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-(4-isobutylphenyl)butane-1,4-dione 1-(1,1-dioxo-1,2-thiazolidin-2-y…

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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) 2.16 6.7 -17.61 0 5 0 72 337.441 6 ↓

Analogs

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Popular Name: 1-(2,4-difluorophenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)butane-1,4-dione 1-(2,4-difluorophenyl)-4-(1,1-di…

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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 4.15 -20.3 0 5 0 72 317.313 4 ↓

Parameters Provided:

ring.id = 416451
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 = 416451 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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