UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[(1-isopropyl-4-piperidyl)methyl]benzofuran-2-carboxamide N-[(1-isopropyl-4-piperidyl)meth…

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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) 3.17 8.44 -38.91 2 4 1 47 301.41 4 ↓

Analogs

34322435
34322435
19887834
19887834

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Popular Name: N-[(1-isopropyl-4-piperidyl)methyl]-7-methoxy-benzofuran-2-carboxamide N-[(1-isopropyl-4-piperidyl)meth…

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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) 3.18 7.71 -39.3 2 5 1 56 331.436 5 ↓

Analogs

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Popular Name: N-[[1-(2-methoxyethyl)-4-piperidyl]methyl]benzofuran-2-carboxamide N-[[1-(2-methoxyethyl)-4-piperid…

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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) 2.48 7.08 -40.69 2 5 1 56 317.409 6 ↓

Analogs

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Popular Name: 7-methoxy-N-[[1-(2-methoxyethyl)-4-piperidyl]methyl]benzofuran-2-carboxamide 7-methoxy-N-[[1-(2-methoxyethyl)…

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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) 2.49 6.36 -41.01 2 6 1 65 347.435 7 ↓

Parameters Provided:

ring.id = 301167
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 = 301167 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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