UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

4808810
4808810
4828245
4828245

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Popular Name: 2-(4,6-dimethylbenzofuran-3-yl)-N-methyl-N-(1-methyl-4-piperidyl)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) 2.94 10.03 -46.93 1 4 1 38 315.437 3 ↓

Analogs

4867768
4867768
4858202
4858202

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Popular Name: 2-(5-chloro-6-methyl-benzofuran-3-yl)-N-methyl-N-(1-methyl-4-piperidyl)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) 3.17 10.07 -45.22 1 4 1 38 335.855 3 ↓

Analogs

4867768
4867768
4858202
4858202

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5-chloro-4,6-dimethyl-benzofuran-3-yl)-N-methyl-N-(1-methyl-4-piperidyl)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) 3.55 10.35 -45.89 1 4 1 38 349.882 3 ↓

Analogs

4867768
4867768
4828245
4828245

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Popular Name: 2-(5-chloro-4,6-dimethyl-benzofuran-3-yl)-N-(2,2,6,6-tetramethyl-4-piperidyl)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) 4.68 8.61 -44.67 3 4 1 59 377.936 3 ↓

Analogs

34574767
34574767
12238150
12238150

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Popular Name: N-methyl-2-(6-methylbenzofuran-3-yl)-N-(1-methyl-4-piperidyl)acetamide N-methyl-2-(6-methylbenzofuran-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) 2.57 9.65 -46.46 1 4 1 38 301.41 3 ↓

Analogs

39979654
39979654
12927677
12927677
12927673
12927673
23421555
23421555

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Popular Name: N-methyl-2-(5-methylbenzofuran-3-yl)-N-(1-methyl-4-piperidyl)acetamide N-methyl-2-(5-methylbenzofuran-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) 2.57 9.65 -46.37 1 4 1 38 301.41 3 ↓

Analogs

27587538
27587538
27587407
27587407
4828245
4828245

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Popular Name: 2-(5-methylbenzofuran-3-yl)-N-(2,2,6,6-tetramethyl-4-piperidyl)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) 3.70 7.9 -44.95 3 4 1 59 329.464 3 ↓

Analogs

39979654
39979654
27587474
27587474
27587538
27587538
12927673
12927673

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Popular Name: 2-(5-ethylbenzofuran-3-yl)-N-methyl-N-(1-methyl-4-piperidyl)acetamide 2-(5-ethylbenzofuran-3-yl)-N-met…

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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) 3.03 10.41 -46.03 1 4 1 38 315.437 4 ↓

Analogs

39892668
39892668
39893049
39893049

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Popular Name: N-(2-dimethylaminoethyl)-2-(6-methylbenzofuran-3-yl)-N-(1-methyl-4-piperidyl)acetamide N-(2-dimethylaminoethyl)-2-(6-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) 2.60 3.22 -101.12 2 5 2 42 359.514 6 ↓

Analogs

39893105
39893105

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Popular Name: N-(2-dimethylaminoethyl)-2-(5,6-dimethylbenzofuran-3-yl)-N-(1-methyl-4-piperidyl)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) 2.97 3.52 -101.18 2 5 2 42 373.541 6 ↓

Analogs

39554862
39554862

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Popular Name: N-[1-(2-amino-2-oxo-ethyl)-4-piperidyl]-2-(6,7-dimethylbenzofuran-3-yl)acetamide N-[1-(2-amino-2-oxo-ethyl)-4-pip…

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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) 1.43 5.32 -48.6 4 6 1 90 344.435 5 ↓

Parameters Provided:

ring.id = 2779
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 = 2779 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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