UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

1945142
1945142
1282139
1282139

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Popular Name: 2-[5-(4-isopropoxyphenyl)-4-keto-thieno[2,3-d]pyrimidin-3-yl]acetic-acid-cyclohexyl-ester 2-[5-(4-isopropoxyphenyl)-4-keto…

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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) 5.10 1.92 -18.46 0 6 0 70 426.538 7 ↓

Analogs

1945086
1945086
1945087
1945087
8788664
8788664
8788665
8788665

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Popular Name: (2S)-2-[5-(4-isopropoxyphenyl)-4-keto-thieno[2,3-d]pyrimidin-3-yl]propionic-acid-cyclohexyl-ester (2S)-2-[5-(4-isopropoxyphenyl)-4…

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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) 5.46 13.39 -12.38 0 6 0 70 440.565 7 ↓

Analogs

1945086
1945086
1945087
1945087
8788664
8788664
8788665
8788665

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[5-(4-isopropoxyphenyl)-4-keto-thieno[2,3-d]pyrimidin-3-yl]propionic-acid-cyclohexyl-ester (2R)-2-[5-(4-isopropoxyphenyl)-4…

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) 5.46 13.36 -12.32 0 6 0 70 440.565 7 ↓

Parameters Provided:

ring.id = 28090
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 = 28090 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=28090&filter.purchasability=annotated

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