UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

6809768
6809768
6809769
6809769
3432744
3432744

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Popular Name: 2-(4,6-dimethylbenzofuran-3-yl)-N-(4-phenoxyphenyl)acetamide 2-(4,6-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) 5.73 11.56 -15.3 1 4 0 51 371.436 5 ↓

Analogs

4855983
4855983

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Popular Name: 2-(5-chloro-6-methyl-benzofuran-3-yl)-N-(4-phenoxyphenyl)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) 5.96 11.54 -14.63 1 4 0 51 391.854 5 ↓

Analogs

6809768
6809768
6809780
6809780
4855983
4855983

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Popular Name: 2-(5-chloro-4,6-dimethyl-benzofuran-3-yl)-N-(4-phenoxyphenyl)acetamide 2-(5-chloro-4,6-dimethyl-benzofu…

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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) 6.34 11.83 -14.88 1 4 0 51 405.881 5 ↓

Analogs

3432744
3432744
3482923
3482923
7007539
7007539

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Popular Name: 2-(6-methylbenzofuran-3-yl)-N-(4-phenoxyphenyl)acetamide 2-(6-methylbenzofuran-3-yl)-N-(4…

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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) 5.35 11.11 -15.41 1 4 0 51 357.409 5 ↓

Analogs

1058524
1058524

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Popular Name: 2-(5-methylbenzofuran-3-yl)-N-(4-phenoxyphenyl)acetamide 2-(5-methylbenzofuran-3-yl)-N-(4…

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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) 5.35 11.12 -15.35 1 4 0 51 357.409 5 ↓

Analogs

6809745
6809745
1058524
1058524

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Popular Name: 2-(5-ethylbenzofuran-3-yl)-N-(4-phenoxyphenyl)acetamide 2-(5-ethylbenzofuran-3-yl)-N-(4-…

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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) 5.82 11.89 -14.98 1 4 0 51 371.436 6 ↓

Parameters Provided:

ring.id = 2787
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 = 2787 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=2787&filter.purchasability=annotated

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