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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

27587359
27587359
12536447
12536447
6662618
6662618
27232893
27232893
9377634
9377634

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5-methylbenzofuran-3-yl)-N-(3-pyridylmethyl)acetamide 2-(5-methylbenzofuran-3-yl)-N-(3…

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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) 2.06 6.56 -13.68 1 4 0 55 280.327 4 ↓
Lo Low (pH 4.5-6) 2.06 7.03 -46.29 2 4 1 56 281.335 4 ↓

Analogs

39893124
39893124

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-dimethylaminoethyl)-2-(5,6-dimethylbenzofuran-3-yl)-N-(3-pyridylmethyl)acetamide N-(2-dimethylaminoethyl)-2-(5,6-…

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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) 2.71 2.91 -62.39 1 5 1 51 366.485 7 ↓
Lo Low (pH 4.5-6) 2.71 3.03 -108.16 2 5 2 52 367.493 7 ↓

Analogs

39893124
39893124

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5,6-dimethylbenzofuran-3-yl)-N-(3-pyridylmethyl)acetamide 2-(5,6-dimethylbenzofuran-3-yl)-…

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) 2.44 7.09 -13.89 1 4 0 55 294.354 4 ↓
Lo Low (pH 4.5-6) 2.44 7.37 -46.35 2 4 1 56 295.362 4 ↓

Parameters Provided:

ring.id = 3768
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 = 3768 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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