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Analogs

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Popular Name: 3-[(4-allyl-5-oxo-[1,2,4]triazolo[4,5-a]quinazolin-1-yl)sulfanylmethyl]benzofuran-2-carboxylic 3-[(4-allyl-5-oxo-[1,2,4]triazol…

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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) 4.10 13.96 -59.39 0 8 -1 105 431.453 6 ↓

Analogs

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Popular Name: 3-[(4-methyl-5-oxo-[1,2,4]triazolo[4,5-a]quinazolin-1-yl)sulfanylmethyl]benzofuran-2-carboxylic 3-[(4-methyl-5-oxo-[1,2,4]triazo…

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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) 3.46 12.47 -59.05 0 8 -1 105 405.415 4 ↓

Analogs

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Popular Name: 3-[[4-(3-ethoxypropyl)-5-oxo-[1,2,4]triazolo[4,5-a]quinazolin-1-yl]sulfanylmethyl]benzofuran-2-carbo 3-[[4-(3-ethoxypropyl)-5-oxo-[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) 4.09 14.2 -60.21 0 9 -1 115 477.522 9 ↓

Analogs

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Popular Name: 3-[(4-butyl-5-oxo-[1,2,4]triazolo[4,5-a]quinazolin-1-yl)sulfanylmethyl]benzofuran-2-carboxylic 3-[(4-butyl-5-oxo-[1,2,4]triazol…

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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) 4.90 14.95 -58.84 0 8 -1 105 447.496 7 ↓

Analogs

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Popular Name: 3-[(4-isopentyl-5-oxo-[1,2,4]triazolo[4,5-a]quinazolin-1-yl)sulfanylmethyl]benzofuran-2-carboxylic 3-[(4-isopentyl-5-oxo-[1,2,4]tri…

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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) 5.11 15.46 -58.78 0 8 -1 105 461.523 7 ↓

Analogs

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Popular Name: 3-[[4-(3-methoxypropyl)-5-oxo-[1,2,4]triazolo[4,5-a]quinazolin-1-yl]sulfanylmethyl]benzofuran-2-carb 3-[[4-(3-methoxypropyl)-5-oxo-[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) 3.72 13.24 -60.22 0 9 -1 115 463.495 8 ↓

Analogs

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Popular Name: 3-[(5-oxo-4-pentyl-[1,2,4]triazolo[4,5-a]quinazolin-1-yl)sulfanylmethyl]benzofuran-2-carboxylic 3-[(5-oxo-4-pentyl-[1,2,4]triazo…

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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) 5.40 15.73 -58.77 0 8 -1 105 461.523 8 ↓

Parameters Provided:

ring.id = 116960
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 = 116960 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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