UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

1942416
1942416
8950187
8950187

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Popular Name: 4-[[2-[4-keto-5-(2-naphthyl)thieno[2,3-d]pyrimidin-3-yl]acetyl]amino]benzoic-acid-ethyl-ester 4-[[2-[4-keto-5-(2-naphthyl)thie…

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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) 5.07 1.06 -25.33 1 7 0 90 483.549 7 ↓

Analogs

8788903
8788903

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Popular Name: N-(2,5-dichlorophenyl)-2-[4-keto-5-(2-naphthyl)thieno[2,3-d]pyrimidin-3-yl]acetamide N-(2,5-dichlorophenyl)-2-[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) 5.81 -0.15 -20.76 1 5 0 63 480.376 4 ↓

Analogs

1961444
1961444

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Popular Name: BRD-K73224242-001-01-9 BRD-K73224242-001-01-9

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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) 5.78 -0.14 -19.03 1 5 0 63 480.376 4 ↓

Analogs

1281207
1281207

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Popular Name: N-(3-chloro-4-methyl-phenyl)-2-[4-keto-5-(2-naphthyl)thieno[2,3-d]pyrimidin-3-yl]acetamide N-(3-chloro-4-methyl-phenyl)-2-[…

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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) 5.58 0.14 -23.69 1 5 0 63 459.958 4 ↓

Parameters Provided:

ring.id = 229991
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 = 229991 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=229991&filter.purchasability=annotated

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