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Analogs

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Popular Name: 2-(9-chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)thiazole-4-carboxylic 2-(9-chloro-3,4-dihydro-2H-1,5-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) 3.18 6.32 -53.76 0 5 -1 71 310.738 2 ↓

Analogs

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Popular Name: 2-[2-(9-chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)thiazol-4-yl]acetic 2-[2-(9-chloro-3,4-dihydro-2H-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) 3.03 7.36 -52.71 0 5 -1 71 324.765 3 ↓

Analogs

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Popular Name: 2-(9-bromo-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)thiazole-4-carboxylic 2-(9-bromo-3,4-dihydro-2H-1,5-be…

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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 6.43 -53.69 0 5 -1 71 355.189 2 ↓

Analogs

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Popular Name: 2-(9-bromo-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(chloromethyl)thiazole 2-(9-bromo-3,4-dihydro-2H-1,5-be…

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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 7.21 -7.24 0 3 0 31 360.66 2 ↓

Analogs

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Popular Name: 2-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-methyl-thiazole-5-carboxylic 2-(6-bromo-3,4-dihydro-2H-1,5-be…

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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) 3.53 7.19 -45.72 0 5 -1 71 369.216 2 ↓

Parameters Provided:

ring.id = 533182
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 = 533182 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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