UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-[(5-nitro-2-pyridyl)sulfanyl]thieno[3,2-d]pyrimidine 4-[(5-nitro-2-pyridyl)sulfanyl]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) 2.95 7.8 -11.1 0 6 0 85 290.329 3 ↓

Analogs

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Popular Name: 4,6-dimethyl-2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-pyridine-3-carboxylic 4,6-dimethyl-2-thieno[3,2-d]pyri…

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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) 3.16 8.9 -58.4 0 5 -1 79 316.387 3 ↓

Analogs

48391463
48391463
48399126
48399126

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Popular Name: 6-thieno[3,2-d]pyrimidin-4-ylsulfanylpyridine-3-carboxylic 6-thieno[3,2-d]pyrimidin-4-ylsul…

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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) 2.39 7.63 -50.63 0 5 -1 79 288.333 3 ↓

Analogs

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Popular Name: 2-thieno[3,2-d]pyrimidin-4-ylsulfanylpyridin-3-amine 2-thieno[3,2-d]pyrimidin-4-ylsul…

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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) 2.25 5.05 -11.42 2 4 0 65 260.347 2 ↓

Parameters Provided:

ring.id = 542928
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 = 542928 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=542928&filter.purchasability=annotated

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