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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-2-hydroxy-4-methoxy-benzamide N-[2-(6-fluoro-4H-1,3-benzodioxi…

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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) 3.34 4.44 -15.87 2 6 0 77 347.342 5 ↓

Analogs

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Popular Name: 3-chloro-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-4-hydroxy-benzamide 3-chloro-N-[2-(6-fluoro-4H-1,3-b…

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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 4.3 -12.14 2 5 0 68 351.761 4 ↓
Hi High (pH 8-9.5) 3.20 5.07 -43.46 1 5 -1 71 350.753 4 ↓

Analogs

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Popular Name: N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-3-[[(R)-methylsulfinyl]methyl]benzamide N-[2-(6-fluoro-4H-1,3-benzodioxi…

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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) 1.76 5.8 -29.1 1 5 0 65 377.437 6 ↓

Analogs

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Popular Name: N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-3-[[(S)-methylsulfinyl]methyl]benzamide N-[2-(6-fluoro-4H-1,3-benzodioxi…

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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) 1.76 5.8 -19.16 1 5 0 65 377.437 6 ↓

Analogs

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Popular Name: N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-4-methyl-3-methylsulfonyl-benzamide N-[2-(6-fluoro-4H-1,3-benzodioxi…

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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) 2.50 4.72 -24.3 1 6 0 82 393.436 5 ↓

Analogs

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Popular Name: 5-acetamido-2-fluoro-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]benzamide 5-acetamido-2-fluoro-N-[2-(6-flu…

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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) 2.12 5.55 -20.95 2 6 0 77 376.359 5 ↓

Analogs

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Popular Name: 4-(dimethylaminomethyl)-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]benzamide 4-(dimethylaminomethyl)-N-[2-(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) 2.62 8.48 -50.17 2 5 1 52 359.421 6 ↓
Hi High (pH 8-9.5) 2.62 6 -12.48 1 5 0 51 358.413 6 ↓

Analogs

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Popular Name: 4-(diethylamino)-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]benzamide 4-(diethylamino)-N-[2-(6-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) 3.67 8.88 -13.3 1 5 0 51 372.44 7 ↓
Mid Mid (pH 6-8) 3.67 8.98 -33.87 2 5 0 52 373.448 7 ↓

Analogs

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Popular Name: N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-3-methyl-2-nitro-benzamide N-[2-(6-fluoro-4H-1,3-benzodioxi…

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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) 3.13 9.17 -24.42 1 7 0 93 360.341 5 ↓

Parameters Provided:

ring.id = 33051
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 = 33051 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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