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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: 3-[(5-butylamino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-fluoro-benzothiophene-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) 5.09 9.06 -58.34 1 5 -1 78 396.514 8 ↓

Analogs

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Popular Name: 4-fluoro-3-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzothiophene-2-carboxyli 4-fluoro-3-[[5-(2-methoxyethylam…

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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) 3.63 6.6 -59.08 1 6 -1 87 398.486 8 ↓

Analogs

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

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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) 4.53 8.29 -58.57 1 5 -1 78 382.487 7 ↓

Analogs

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Popular Name: 4-fluoro-3-[(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzothiophene-2-carboxylic 4-fluoro-3-[(5-propylsulfanyl-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) 5.27 9.29 -56.08 0 4 -1 66 399.539 7 ↓

Analogs

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Popular Name: 3-[(5-ethylamino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-fluoro-benzothiophene-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) 4.03 7.52 -58.78 1 5 -1 78 368.46 6 ↓

Analogs

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Popular Name: 4-fluoro-3-[[5-(isobutylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzothiophene-2-carboxylic 4-fluoro-3-[[5-(isobutylamino)-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) 4.77 9 -58.25 1 5 -1 78 396.514 7 ↓

Analogs

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

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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) 4.86 9.18 -59.23 1 5 -1 78 396.514 7 ↓

Analogs

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

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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) 4.86 9.18 -59.16 1 5 -1 78 396.514 7 ↓

Analogs

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Popular Name: 3-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-4-fluoro-benzothiophene-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) 4.84 8.82 -59.36 1 5 -1 78 396.514 6 ↓

Analogs

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Popular Name: 3-[[5-(allylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-4-fluoro-benzothiophene-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) 4.29 8.07 -58.33 1 5 -1 78 380.471 7 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 5.47 10.76 -15.43 1 5 0 64 425.576 8 ↓

Analogs

7248630
7248630

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Popular Name: ethyl ethyl

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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) 4.93 10.03 -13.59 1 5 0 64 409.533 9 ↓

Analogs

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Popular Name: 3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)benzothiophene-2-carboxylic 3-(1,3,4-thiadiazol-2-ylsulfanyl…

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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) 3.55 7.63 -53.88 0 4 -1 66 307.401 4 ↓

Parameters Provided:

ring.id = 117943
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 = 117943 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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