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Analogs

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Popular Name: 3-[(5-butylamino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzofuran-2-carboxylic 3-[(5-butylamino-1,3,4-thiadiazo…

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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) 4.33 8.2 -57.2 1 6 -1 91 362.456 8 ↓

Analogs

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Popular Name: 3-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzofuran-2-carboxylic 3-[[5-(2-methoxyethylamino)-1,3,…

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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) 2.88 5.74 -57.95 1 7 -1 100 364.428 8 ↓

Analogs

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Popular Name: 3-[(5-propylamino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzofuran-2-carboxylic 3-[(5-propylamino-1,3,4-thiadiaz…

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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 7.43 -57.4 1 6 -1 91 348.429 7 ↓

Analogs

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Popular Name: 3-[(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzofuran-2-carboxylic 3-[(5-propylsulfanyl-1,3,4-thiad…

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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) 4.51 8.44 -55.03 0 5 -1 79 365.481 7 ↓

Analogs

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Popular Name: 3-[(5-ethylamino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzofuran-2-carboxylic 3-[(5-ethylamino-1,3,4-thiadiazo…

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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) 3.27 6.67 -57.65 1 6 -1 91 334.402 6 ↓

Analogs

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Popular Name: 3-[[5-(isobutylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzofuran-2-carboxylic 3-[[5-(isobutylamino)-1,3,4-thia…

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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) 4.01 8.15 -57.14 1 6 -1 91 362.456 7 ↓

Analogs

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Popular Name: 3-[[5-(sec-butylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzofuran-2-carboxylic 3-[[5-(sec-butylamino)-1,3,4-thi…

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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 8.32 -57.94 1 6 -1 91 362.456 7 ↓

Analogs

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Popular Name: 3-[[5-(sec-butylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzofuran-2-carboxylic 3-[[5-(sec-butylamino)-1,3,4-thi…

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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 8.32 -57.91 1 6 -1 91 362.456 7 ↓

Analogs

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Popular Name: 3-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzofuran-2-carboxylic 3-[[5-(tert-butylamino)-1,3,4-th…

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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) 4.08 7.96 -58.03 1 6 -1 91 362.456 6 ↓

Analogs

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Popular Name: 3-[[5-(allylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzofuran-2-carboxylic 3-[[5-(allylamino)-1,3,4-thiadia…

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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) 3.54 7.21 -57.2 1 6 -1 91 346.413 7 ↓

Analogs

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Popular Name: 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzofuran-2-carboxylic 3-[(5-amino-1,3,4-thiadiazol-2-y…

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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) 2.52 4.87 -57.91 2 6 -1 105 306.348 4 ↓

Analogs

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Popular Name: N-methoxy-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzofuran-2-carboxamide N-methoxy-3-[(5-methyl-1,3,4-thi…

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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) 2.21 6.12 -14.82 1 6 0 77 335.41 5 ↓

Analogs

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Popular Name: N,N-diethyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzofuran-2-carboxamide N,N-diethyl-3-[(5-methyl-1,3,4-t…

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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 9.2 -12.98 0 5 0 59 361.492 6 ↓

Parameters Provided:

ring.id = 117928
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 = 117928 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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