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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

6457586
6457586

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Popular Name: (E)-3-(4-methoxyphenyl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d]thiazol-2-yl)prop-2-enamide (E)-3-(4-methoxyphenyl)-N-(5,6,7…

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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) 4.32 8.53 -10.62 1 4 0 51 328.437 4 ↓

Analogs

6251610
6251610

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Popular Name: (E)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d]thiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide (E)-N-(5,6,7,8-tetrahydro-4H-cyc…

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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) 3.90 8.7 -17.78 1 6 0 70 388.489 6 ↓

Analogs

6995090
6995090

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Popular Name: (E)-3-(3-nitrophenyl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d]thiazol-2-yl)prop-2-enamide (E)-3-(3-nitrophenyl)-N-(5,6,7,8…

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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) 4.20 10.21 -20.28 1 6 0 88 343.408 4 ↓

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) 4.44 10.2 -17.2 1 5 0 68 356.447 5 ↓

Parameters Provided:

ring.id = 246255
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 = 246255 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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