UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

1314446
1314446
4387922
4387922

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Popular Name: [(4R,5S,6R)-4-hydroxy-6-(2-thienyl)-2-thioxo-4-(trifluoromethyl)hexahydropyrimidin-5-yl]-(2-thienyl) [(4R,5S,6R)-4-hydroxy-6-(2-thien…

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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) 3.39 -4.81 -11.25 3 4 0 61 392.449 4 ↓

Analogs

1314446
1314446
4387922
4387922
4387923
4387923
4387924
4387924
11990822
11990822

Draw Identity 99% 90% 80% 70%

Popular Name: [(4R,5S,6S)-4-hydroxy-6-(2-thienyl)-2-thioxo-4-(trifluoromethyl)hexahydropyrimidin-5-yl]-(2-thienyl) [(4R,5S,6S)-4-hydroxy-6-(2-thien…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.39 -5.33 -15.5 3 4 0 61 392.449 4 ↓

Parameters Provided:

ring.id = 66165
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 = 66165 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=66165&filter.purchasability=annotated

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