UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12482310
12482310
34963128
34963128

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Popular Name: 3-methyl-5-[(3-methyl-2-thienyl)methylene]thiazolidine-2,4-dione 3-methyl-5-[(3-methyl-2-thienyl)…

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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) 1.83 0.28 -6.92 0 3 0 39 239.321 1 ↓

Analogs

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Popular Name: methyl methyl

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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) 1.54 7.2 -10.8 0 5 0 65 311.384 6 ↓

Analogs

41931004
41931004
23205992
23205992

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Popular Name: 2-[(5E)-2,4-dioxo-5-(2-thienylmethylene)thiazolidin-3-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide 2-[(5E)-2,4-dioxo-5-(2-thienylme…

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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) 1.73 6.77 -14.53 0 5 0 59 364.37 5 ↓

Analogs

41931003
41931003
23205992
23205992

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Popular Name: 2-[(5Z)-2,4-dioxo-5-(2-thienylmethylene)thiazolidin-3-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide 2-[(5Z)-2,4-dioxo-5-(2-thienylme…

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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) 1.73 6.59 -15.15 0 5 0 59 364.37 5 ↓

Parameters Provided:

ring.id = 217165
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 = 217165 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=217165&filter.purchasability=annotated

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