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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[2-(2,3-dimethylanilino)-2-oxo-ethyl]-N-methyl-adamantane-2-carboxamide N-[2-(2,3-dimethylanilino)-2-oxo…

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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) 4.79 10.36 -13.32 1 4 0 49 354.494 4 ↓

Analogs

6434247
6434247

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Popular Name: N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]adamantane-2-carboxamide N-methyl-N-[2-oxo-2-(2,4,6-trime…

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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) 4.25 11.37 -13.23 1 4 0 49 368.521 4 ↓

Analogs

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Popular Name: N-methyl-N-[2-(4-methylanilino)-2-oxo-ethyl]adamantane-2-carboxamide N-methyl-N-[2-(4-methylanilino)-…

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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 9.63 -12.88 1 4 0 49 340.467 4 ↓

Analogs

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Popular Name: N-[2-(2,6-dimethylanilino)-2-oxo-ethyl]adamantane-2-carboxamide N-[2-(2,6-dimethylanilino)-2-oxo…

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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) 3.61 8.68 -8.21 2 4 0 58 340.467 4 ↓

Analogs

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Popular Name: N-[2-(3,4-difluoroanilino)-2-oxo-ethyl]adamantane-2-carboxamide N-[2-(3,4-difluoroanilino)-2-oxo…

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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) 4.00 6.94 -9.01 2 4 0 58 348.393 4 ↓

Analogs

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Popular Name: N-[2-(2-chloroanilino)-2-oxo-ethyl]-N-methyl-adamantane-2-carboxamide N-[2-(2-chloroanilino)-2-oxo-eth…

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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) 4.62 9.59 -12.25 1 4 0 49 360.885 4 ↓

Parameters Provided:

ring.id = 28308
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 = 28308 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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