UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

4834461
4834461
6672417
6672417

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Popular Name: 2-(5-chloro-6-methyl-benzofuran-3-yl)-N-(2-pyridylmethyl)acetamide 2-(5-chloro-6-methyl-benzofuran-…

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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) 2.74 6.92 -12.73 1 4 0 55 314.772 4 ↓
Lo Low (pH 4.5-6) 2.74 7.32 -42.51 2 4 1 56 315.78 4 ↓

Analogs

40159801
40159801
40159802
40159802
58568479
58568479
27587501
27587501
27587302
27587302

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Popular Name: 2-(5-methylbenzofuran-3-yl)-N-(2-pyridylmethyl)acetamide 2-(5-methylbenzofuran-3-yl)-N-(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) 2.13 6.5 -13.81 1 4 0 55 280.327 4 ↓
Lo Low (pH 4.5-6) 2.13 6.91 -43.6 2 4 1 56 281.335 4 ↓

Analogs

39893107
39893107

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Popular Name: 2-(5-isopropyl-6-methyl-benzofuran-3-yl)-N-(2-pyridylmethyl)acetamide 2-(5-isopropyl-6-methyl-benzofur…

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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) 3.10 8.28 -13.64 1 4 0 55 322.408 5 ↓
Lo Low (pH 4.5-6) 3.10 8.68 -43.45 2 4 1 56 323.416 5 ↓

Analogs

39893107
39893107

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

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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) 2.75 9.19 -17.84 0 4 0 46 308.381 4 ↓
Lo Low (pH 4.5-6) 2.75 9.61 -41.8 1 4 1 48 309.389 4 ↓

Analogs

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Popular Name: N-(2-cyanoethyl)-2-(6-methoxybenzofuran-3-yl)-N-(2-pyridylmethyl)acetamide N-(2-cyanoethyl)-2-(6-methoxyben…

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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) 1.44 8.67 -23.33 0 6 0 79 349.39 7 ↓
Lo Low (pH 4.5-6) 1.44 9.09 -53.08 1 6 1 81 350.398 7 ↓

Parameters Provided:

ring.id = 2938
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 = 2938 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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