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Analogs

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Popular Name: 2-[(5-butylamino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-5-methyl-4-oxo-3H-thieno[5,4-d]pyrimidine-6-c 2-[(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) 3.37 7.07 -54.81 2 8 -1 124 410.526 8 ↓
Hi High (pH 8-9.5) 3.82 4.77 -102.8 1 8 -2 127 409.518 8 ↓

Analogs

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Popular Name: 2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-5-methyl-4-oxo-3H-thieno[5,4-d]pyr 2-[[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) 1.91 4.61 -55.95 2 9 -1 133 412.498 8 ↓
Hi High (pH 8-9.5) 2.37 2.31 -103.92 1 9 -2 136 411.49 8 ↓

Analogs

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Popular Name: 5-methyl-4-oxo-2-[(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-3H-thieno[5,4-d]pyrimidine 5-methyl-4-oxo-2-[(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) 3.55 7.32 -53.57 1 7 -1 112 413.551 7 ↓
Hi High (pH 8-9.5) 4.00 5.02 -100.5 0 7 -2 115 412.543 7 ↓

Analogs

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Popular Name: 2-[(5-ethylamino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-5-methyl-4-oxo-3H-thieno[5,4-d]pyrimidine-6-c 2-[(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) 2.30 5.53 -55.14 2 8 -1 124 382.472 6 ↓
Hi High (pH 8-9.5) 2.76 3.23 -103.21 1 8 -2 127 381.464 6 ↓

Analogs

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Popular Name: 2-[[5-(allylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-5-methyl-4-oxo-3H-thieno[5,4-d]pyrimidine-6 2-[[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) 2.57 6.08 -54.88 2 8 -1 124 394.483 7 ↓
Hi High (pH 8-9.5) 3.03 3.78 -102.8 1 8 -2 127 393.475 7 ↓

Analogs

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Popular Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-5-methyl-4-oxo-3H-thieno[5,4-d]pyrimidine-6-carbox 2-[(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) 1.55 3.74 -55.86 3 8 -1 138 354.418 4 ↓
Hi High (pH 8-9.5) 2.01 1.44 -103.57 2 8 -2 141 353.41 4 ↓

Parameters Provided:

ring.id = 117926
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 = 117926 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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