UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

41550666
41550666
41550670
41550670

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Popular Name: N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-7-methoxy-2-oxo-chromene-4-carboxamide N-(5-cyclohexyl-1,3,4-thiadiazol…

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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 8.99 -13.75 1 7 0 94 385.445 4 ↓
Hi High (pH 8-9.5) 3.27 7.96 -46.33 0 7 -1 101 384.437 4 ↓

Analogs

41643607
41643607
41643609
41643609
41643611
41643611
41551595
41551595
41551598
41551598

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Popular Name: N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-7-isopropoxy-2-oxo-chromene-4-carboxamide N-(5-cyclohexyl-1,3,4-thiadiazol…

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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) 3.94 10.58 -13.18 1 7 0 94 413.499 5 ↓
Hi High (pH 8-9.5) 4.01 9.52 -45.64 0 7 -1 101 412.491 5 ↓

Analogs

41551595
41551595
41551598
41551598
41551601
41551601

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Popular Name: N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-7-ethoxy-2-oxo-chromene-4-carboxamide N-(5-cyclohexyl-1,3,4-thiadiazol…

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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) 3.58 9.91 -13.49 1 7 0 94 399.472 5 ↓
Hi High (pH 8-9.5) 3.65 8.89 -45.85 0 7 -1 101 398.464 5 ↓

Parameters Provided:

ring.id = 547328
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 = 547328 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=547328&filter.purchasability=annotated

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