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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: 4-[[(E)-2-cyano-3-(6-fluoro-4H-1,3-benzodioxin-8-yl)prop-2-enoyl]amino]benzoic 4-[[(E)-2-cyano-3-(6-fluoro-4H-1…

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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) 2.80 6.64 -55.48 1 7 -1 111 367.312 4 ↓

Analogs

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Popular Name: 2-[[(E)-2-cyano-3-(6-fluoro-4H-1,3-benzodioxin-8-yl)prop-2-enoyl]amino]benzoic 2-[[(E)-2-cyano-3-(6-fluoro-4H-1…

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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) 2.93 6.92 -57.26 1 7 -1 111 367.312 4 ↓

Analogs

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Popular Name: (E)-N-(3-ethynylphenyl)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enamide (E)-N-(3-ethynylphenyl)-3-(6-nit…

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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) 2.70 8.7 -18.78 1 7 0 93 350.33 4 ↓

Analogs

16490126
16490126
16494024
16494024
25461014
25461014
25461369
25461369
25461857
25461857

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Popular Name: (E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)-N-(p-tolyl)prop-2-enamide (E)-3-(6-nitro-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) 3.41 8.16 -14.78 1 7 0 93 340.335 4 ↓

Analogs

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Popular Name: (E)-3-(6-fluoro-4H-1,3-benzodioxin-8-yl)-N-(p-tolyl)prop-2-enamide (E)-3-(6-fluoro-4H-1,3-benzodiox…

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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) 3.62 7.57 -11.87 1 4 0 48 313.328 3 ↓

Analogs

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Popular Name: (E)-3-(6-fluoro-4H-1,3-benzodioxin-8-yl)-N-(3-fluorophenyl)prop-2-enamide (E)-3-(6-fluoro-4H-1,3-benzodiox…

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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) 3.31 6.96 -14.06 1 4 0 48 317.291 3 ↓

Analogs

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Popular Name: (E)-N-(3-acetamidophenyl)-3-(6-fluoro-4H-1,3-benzodioxin-8-yl)prop-2-enamide (E)-N-(3-acetamidophenyl)-3-(6-f…

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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) 2.36 5.79 -16.1 2 6 0 77 356.353 4 ↓

Analogs

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Popular Name: (E)-N-(4-acetamidophenyl)-3-(6-fluoro-4H-1,3-benzodioxin-8-yl)prop-2-enamide (E)-N-(4-acetamidophenyl)-3-(6-f…

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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) 2.39 5.8 -20.26 2 6 0 77 356.353 4 ↓

Parameters Provided:

ring.id = 125281
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 = 125281 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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