UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-(3,4-dimethoxyphenyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide 2-(3,4-dimethoxyphenyl)-N-(3-phe…

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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) 3.20 7.58 -16.95 1 6 0 73 355.419 6 ↓
Hi High (pH 8-9.5) 3.39 6.1 -44.35 0 6 -1 80 354.411 6 ↓

Analogs

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Popular Name: N-(3-phenyl-1,2,4-thiadiazol-5-yl)-2-(3,4,5-trimethoxyphenyl)acetamide N-(3-phenyl-1,2,4-thiadiazol-5-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) 3.19 7.5 -19.27 1 7 0 83 385.445 7 ↓
Hi High (pH 8-9.5) 3.37 6.02 -45.16 0 7 -1 89 384.437 7 ↓

Analogs

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Popular Name: 2-(2-methoxyphenyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide 2-(2-methoxyphenyl)-N-(3-phenyl-…

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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) 3.56 7.74 -12.39 1 5 0 64 325.393 5 ↓
Hi High (pH 8-9.5) 3.75 6.26 -45.29 0 5 -1 70 324.385 5 ↓

Parameters Provided:

ring.id = 611693
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 = 611693 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=611693&filter.purchasability=annotated

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