UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

3524879
3524879
7007540
7007540

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Popular Name: N-(1,3-benzodioxol-5-yl)-2-(5-chloro-6-methyl-benzofuran-3-yl)acetamide N-(1,3-benzodioxol-5-yl)-2-(5-ch…

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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) 4.09 7.31 -17.43 1 5 0 61 343.766 3 ↓

Analogs

4866566
4866566

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Popular Name: 2-(5-chloro-6-methyl-benzofuran-3-yl)-N-(6-nitro-1,3-benzodioxol-5-yl)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) 3.98 8.3 -12.14 1 8 0 107 388.763 4 ↓

Analogs

4870077
4870077
3524879
3524879

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Popular Name: N-(1,3-benzodioxol-5-yl)-2-(5-chloro-4,6-dimethyl-benzofuran-3-yl)acetamide N-(1,3-benzodioxol-5-yl)-2-(5-ch…

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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) 4.47 7.6 -17.73 1 5 0 61 357.793 3 ↓

Analogs

4866566
4866566

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5-chloro-4,6-dimethyl-benzofuran-3-yl)-N-(6-nitro-1,3-benzodioxol-5-yl)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) 4.36 8.68 -12.49 1 8 0 107 402.79 4 ↓

Analogs

4866566
4866566

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(6-methylbenzofuran-3-yl)-N-(6-nitro-1,3-benzodioxol-5-yl)acetamide 2-(6-methylbenzofuran-3-yl)-N-(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) 3.38 7.87 -12.88 1 8 0 107 354.318 4 ↓

Analogs

3524879
3524879
7007540
7007540

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1,3-benzodioxol-5-yl)-2-(5-methylbenzofuran-3-yl)acetamide N-(1,3-benzodioxol-5-yl)-2-(5-me…

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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) 3.49 6.89 -18.28 1 5 0 61 309.321 3 ↓

Analogs

4866566
4866566

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5-methylbenzofuran-3-yl)-N-(6-nitro-1,3-benzodioxol-5-yl)acetamide 2-(5-methylbenzofuran-3-yl)-N-(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) 3.38 7.88 -12.8 1 8 0 107 354.318 4 ↓

Analogs

7007540
7007540
3524879
3524879

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Popular Name: N-(1,3-benzodioxol-5-yl)-2-(5-ethylbenzofuran-3-yl)acetamide N-(1,3-benzodioxol-5-yl)-2-(5-et…

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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) 3.95 7.65 -17.93 1 5 0 61 323.348 4 ↓

Analogs

4866566
4866566

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5-ethylbenzofuran-3-yl)-N-(6-nitro-1,3-benzodioxol-5-yl)acetamide 2-(5-ethylbenzofuran-3-yl)-N-(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) 3.84 8.64 -12.49 1 8 0 107 368.345 5 ↓

Analogs

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Popular Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(5,6-dimethylbenzofuran-3-yl)acetamide N-(6-acetyl-1,3-benzodioxol-5-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) 3.69 8.31 -16.03 1 6 0 78 365.385 4 ↓

Parameters Provided:

ring.id = 2996
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 = 2996 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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