UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

368114
368114
4348484
4348484

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Popular Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-2-oxo-chromene-3-carboxamide N-(6-ethyl-1,3-benzothiazol-2-yl…

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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) 4.28 0.99 -29.25 1 5 0 72 350.399 3 ↓

Analogs

10066994
10066994

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Popular Name: N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-2-oxo-chromene-3-carboxamide N-(5,6-dimethoxy-1,3-benzothiazo…

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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) 3.29 11.48 -52.29 1 8 1 86 454.528 7 ↓
Hi High (pH 8-9.5) 3.29 9.17 -16.43 0 8 0 85 453.52 7 ↓

Analogs

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Popular Name: N-[3-(dimethylamino)propyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-oxo-chromene-3-carboxamide N-[3-(dimethylamino)propyl]-N-(6…

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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) 3.97 12.32 -50.91 1 7 1 77 438.529 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1,3-benzothiazol-2-yl)-N-ethyl-2-oxo-chromene-3-carboxamide N-(1,3-benzothiazol-2-yl)-N-ethy…

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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) 4.01 11.72 -31.74 0 5 0 63 350.399 3 ↓

Parameters Provided:

ring.id = 76011
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 = 76011 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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