UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12210761
12210761

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Popular Name: (4S)-3-(2-methylsulfanyl-5,6,7,8-tetrahydrobenzothiopheno[3,2-e]pyrimidin-4-yl)thiazolidine-4-carbox (4S)-3-(2-methylsulfanyl-5,6,7,8…

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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) 2.32 -2.89 -50.11 0 5 -1 69 366.513 3 ↓

Analogs

12210757
12210757

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Popular Name: (4R)-3-(2-methylsulfanyl-5,6,7,8-tetrahydrobenzothiopheno[3,2-e]pyrimidin-4-yl)thiazolidine-4-carbox (4R)-3-(2-methylsulfanyl-5,6,7,8…

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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) 2.32 -3.47 -50.42 0 5 -1 69 366.513 3 ↓

Parameters Provided:

ring.id = 88990
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 = 88990 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=88990&filter.purchasability=annotated

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