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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: N1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-methyl-benzene-1,3-diamine N1-[2-(2,3-dihydro-1,4-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) 2.97 5.68 -7.88 3 4 0 57 284.359 4 ↓

Analogs

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Popular Name: 4-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethylamino]-3-nitro-benzoic 4-[2-(5-chloro-2,3-dihydro-1,4-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) 3.71 8.09 -52.15 1 8 -1 116 377.76 6 ↓

Analogs

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Popular Name: 2-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethylamino]-5-(diethylsulfamoyl)benzoic 2-[2-(5-chloro-2,3-dihydro-1,4-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) 4.00 7.17 -56.01 1 8 -1 108 467.951 9 ↓

Analogs

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Popular Name: 2-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethylamino]-5-(dimethylsulfamoyl)benzoic 2-[2-(5-chloro-2,3-dihydro-1,4-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) 3.24 5.44 -55.98 1 8 -1 108 439.897 7 ↓

Analogs

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Popular Name: (E)-3-[4-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethylamino]-3-nitro-phenyl]prop-2-enoic (E)-3-[4-[2-(5-chloro-2,3-dihydr…

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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) 3.77 9.33 -54.75 1 8 -1 116 403.798 7 ↓

Analogs

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Popular Name: 5-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethylamino]-2-nitro-benzoic 5-[2-(5-chloro-2,3-dihydro-1,4-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) 3.89 8.3 -61.01 1 8 -1 116 377.76 6 ↓

Analogs

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Popular Name: 2-[[4-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethylamino]-3-nitro-benzoyl]amino]acetic 2-[[4-[2-(5-chloro-2,3-dihydro-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) 1.32 6.7 -50.03 2 10 -1 146 434.812 8 ↓

Analogs

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Popular Name: 3-[[4-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethylamino]-3-nitro-phenyl]sulfonylamino]propano 3-[[4-[2-(5-chloro-2,3-dihydro-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) 2.38 5.26 -57.67 2 11 -1 163 484.894 10 ↓

Analogs

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Popular Name: (2S)-2-[[4-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethylamino]-3-nitro-benzoyl]amino]propanoic (2S)-2-[[4-[2-(5-chloro-2,3-dihy…

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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) 1.11 7.53 -50.85 2 10 -1 146 448.839 8 ↓

Parameters Provided:

ring.id = 5623
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 = 5623 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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