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Analogs

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Popular Name: N-(ethyl-oxo-BLAHyl)-2-(2-methylphenoxy)-acetamide N-(ethyl-oxo-BLAHyl)-2-(2-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) 4.60 1.33 -26.09 1 6 0 73 402.45 5 ↓

Analogs

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Popular Name: N-(ethyl-oxo-BLAHyl)-2-(3-methylphenoxy)-acetamide N-(ethyl-oxo-BLAHyl)-2-(3-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) 4.63 1.26 -26.67 1 6 0 73 402.45 5 ↓

Analogs

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Popular Name: N-(ethyl-oxo-BLAHyl)-2-(4-methylphenoxy)-acetamide N-(ethyl-oxo-BLAHyl)-2-(4-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) 4.65 1.26 -26.41 1 6 0 73 402.45 5 ↓

Analogs

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Popular Name: N-(ethyl-oxo-BLAHyl)-2-(2-fluorophenoxy)-acetamide N-(ethyl-oxo-BLAHyl)-2-(2-fluoro…

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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 1.68 -31.27 1 6 0 73 406.413 5 ↓

Analogs

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Popular Name: N-(ethyl-oxo-BLAHyl)-2-(4-fluorophenoxy)-acetamide N-(ethyl-oxo-BLAHyl)-2-(4-fluoro…

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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) 4.37 1.68 -26.43 1 6 0 73 406.413 5 ↓

Analogs

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Popular Name: N-(ethyl-oxo-BLAHyl)-2-(2-methoxyphenoxy)-acetamide N-(ethyl-oxo-BLAHyl)-2-(2-methox…

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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) 3.82 1.19 -30.42 1 7 0 82 418.449 6 ↓

Analogs

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Popular Name: N-(ethyl-oxo-BLAHyl)-2-(3-methoxyphenoxy)-acetamide N-(ethyl-oxo-BLAHyl)-2-(3-methox…

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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) 4.24 0.96 -29.54 1 7 0 82 418.449 6 ↓

Analogs

38708481
38708481
9134551
9134551

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Popular Name: N-(ethyl-oxo-BLAHyl)-2-(4-methoxyphenoxy)-acetamide N-(ethyl-oxo-BLAHyl)-2-(4-methox…

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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) 4.26 0.94 -27.61 1 7 0 82 418.449 6 ↓

Analogs

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Popular Name: 2-(2-methylphenoxy)-N-(oxoBLAHyl)-acetamide 2-(2-methylphenoxy)-N-(oxoBLAHyl…

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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) 3.71 -0.42 -25.01 2 6 0 84 374.396 4 ↓

Analogs

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Popular Name: 2-(2-fluorophenoxy)-N-(oxoBLAHyl)-acetamide 2-(2-fluorophenoxy)-N-(oxoBLAHyl…

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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) 3.43 -0.06 -30.15 2 6 0 84 378.359 4 ↓

Analogs

9827826
9827826
38715182
38715182

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Popular Name: 2-(4-methoxyphenoxy)-N-(oxoBLAHyl)-acetamide 2-(4-methoxyphenoxy)-N-(oxoBLAHy…

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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) 3.37 -0.8 -26.55 2 7 0 93 390.395 5 ↓

Analogs

9135093
9135093
9135111
9135111
9827869
9827869
38715436
38715436

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Popular Name: N-(methyl-oxo-BLAHyl)-2-phenoxy-acetamide N-(methyl-oxo-BLAHyl)-2-phenoxy-…

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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) 3.74 -0.48 -25.1 2 6 0 84 374.396 4 ↓

Analogs

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Popular Name: 2-(4-chlorophenoxy)-N-(methyl-oxo-BLAHyl)-acetamide 2-(4-chlorophenoxy)-N-(methyl-ox…

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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) 4.42 -0.63 -24.65 2 6 0 84 408.841 4 ↓

Parameters Provided:

ring.id = 6616
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 = 6616 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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