UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

6579332
6579332
6579335
6579335

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Popular Name: 5-bromo-N-cyclopentyl-3-methyl-benzofuran-2-carboxamide 5-bromo-N-cyclopentyl-3-methyl-b…

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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) 4.26 7.49 -5.42 1 3 0 42 322.202 2 ↓

Analogs

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Popular Name: N-(1-cyanocyclopentyl)-7-methoxy-3-methyl-benzofuran-2-carboxamide N-(1-cyanocyclopentyl)-7-methoxy…

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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) 3.34 6.06 -12.86 1 5 0 75 298.342 3 ↓

Analogs

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Popular Name: N-(2-amino-2-oxo-ethyl)-N-cyclopentyl-3-(methoxymethyl)benzofuran-2-carboxamide N-(2-amino-2-oxo-ethyl)-N-cyclop…

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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) 1.95 4.99 -17.86 2 6 0 86 330.384 6 ↓

Analogs

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Popular Name: N-cyclopentyl-3,4,7-trimethyl-benzofuran-2-carboxamide N-cyclopentyl-3,4,7-trimethyl-be…

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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) 4.27 8.01 -7.08 1 3 0 42 271.36 2 ↓

Analogs

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Popular Name: N-(3-aminopropyl)-N-cyclopentyl-benzofuran-2-carboxamide N-(3-aminopropyl)-N-cyclopentyl-…

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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) 2.42 7.08 -52.35 3 4 1 61 287.383 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-N-cyclopentyl-N-methyl-benzofuran-2-carboxamide 5-bromo-N-cyclopentyl-N-methyl-b…

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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) 4.13 8.63 -6.1 0 3 0 33 322.202 2 ↓

Parameters Provided:

ring.id = 236060
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 = 236060 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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