UCSF
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Analogs

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Popular Name: 4-[(5-butylamino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-3-methyl-6-oxo-7H-thieno[5,4-b]pyridine-2-car 4-[(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) 4.11 7.01 -48 2 7 -1 111 409.538 8 ↓

Analogs

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Popular Name: 4-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-3-methyl-6-oxo-7H-thieno[5,4-b]pyr 4-[[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) 2.66 4.55 -49.42 2 8 -1 120 411.51 8 ↓

Analogs

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Popular Name: 3-methyl-6-oxo-4-[(5-propylamino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-7H-thieno[5,4-b]pyridine-2-ca 3-methyl-6-oxo-4-[(5-propylamino…

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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) 3.56 6.24 -48.11 2 7 -1 111 395.511 7 ↓

Analogs

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Popular Name: 3-methyl-6-oxo-4-[(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-7H-thieno[5,4-b]pyridine-2 3-methyl-6-oxo-4-[(5-propylsulfa…

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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) 4.30 7.25 -46.36 1 6 -1 99 412.563 7 ↓

Analogs

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Popular Name: 4-[(5-ethylamino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-3-methyl-6-oxo-7H-thieno[5,4-b]pyridine-2-car 4-[(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) 3.05 5.47 -48.35 2 7 -1 111 381.484 6 ↓

Analogs

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Popular Name: 4-[[5-(isobutylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-3-methyl-6-oxo-7H-thieno[5,4-b]pyridine- 4-[[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) 3.80 6.95 -47.76 2 7 -1 111 409.538 7 ↓

Analogs

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Popular Name: 3-methyl-6-oxo-4-[[5-(sec-butylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-7H-thieno[5,4-b]pyridine 3-methyl-6-oxo-4-[[5-(sec-butyla…

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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 7.13 -48.44 2 7 -1 111 409.538 7 ↓

Analogs

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Popular Name: 3-methyl-6-oxo-4-[[5-(sec-butylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-7H-thieno[5,4-b]pyridine 3-methyl-6-oxo-4-[[5-(sec-butyla…

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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 7.13 -48.36 2 7 -1 111 409.538 7 ↓

Analogs

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Popular Name: 4-[[5-(allylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-3-methyl-6-oxo-7H-thieno[5,4-b]pyridine-2-c 4-[[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) 3.32 6.02 -47.92 2 7 -1 111 393.495 7 ↓

Analogs

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Popular Name: 4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-3-methyl-6-oxo-7H-thieno[5,4-b]pyridine-2-carboxyl 4-[(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) 2.30 3.68 -48.8 3 7 -1 125 353.43 4 ↓

Parameters Provided:

ring.id = 117913
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 = 117913 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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