UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-(cyclooctylamino)-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one 2-(cyclooctylamino)-5,7-dihydro-…

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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) 3.69 7.65 -8.64 2 4 0 58 279.409 2 ↓
Hi High (pH 8-9.5) 4.14 5.69 -45.25 1 4 -1 61 278.401 2 ↓

Analogs

5155226
5155226

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Popular Name: 2-[(4-oxo-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-2-yl)sulfanyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)ace 2-[(4-oxo-5,7-dihydro-3H-thieno[…

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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) 1.96 5.09 -21 2 7 0 101 369.497 6 ↓
Hi High (pH 8-9.5) 2.14 3.88 -42.88 1 7 -1 107 368.489 6 ↓
Hi High (pH 8-9.5) 2.60 1.92 -102.07 0 7 -2 110 367.481 6 ↓

Analogs

5155225
5155225

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Popular Name: (2S)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(4-oxo-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-2-yl)sulfany (2S)-N-(5-methyl-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) 1.24 4.46 -20.73 2 7 0 101 355.47 4 ↓
Ref Reference (pH 7) 1.70 2.73 -49.15 1 7 -1 104 354.462 4 ↓
Hi High (pH 8-9.5) 1.43 2.92 -42.78 1 7 -1 107 354.462 4 ↓

Parameters Provided:

ring.id = 551817
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 = 551817 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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