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

Analogs

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Popular Name: N-[[1-[2-(4-fluorophenyl)ethyl]-4-piperidyl]methyl]-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide N-[[1-[2-(4-fluorophenyl)ethyl]-…

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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) 5.11 5.01 -45.77 1 3 1 25 437.501 8 ↓

Analogs

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Popular Name: N-[[1-[2-(2-fluorophenyl)ethyl]-4-piperidyl]methyl]-2-(3-methoxyphenyl)-N-methyl-acetamide N-[[1-[2-(2-fluorophenyl)ethyl]-…

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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) 4.22 2.71 -40.8 1 4 1 34 399.53 8 ↓

Analogs

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Popular Name: 2-(3,5-difluorophenyl)-N-[[1-[2-(3-fluorophenyl)ethyl]-4-piperidyl]methyl]-N-methyl-acetamide 2-(3,5-difluorophenyl)-N-[[1-[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) 4.47 4.31 -46.39 1 3 1 25 405.484 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-fluorophenyl)-N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]-4-piperidyl]methyl]acetamide 2-(2-fluorophenyl)-N-methyl-N-[[…

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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) 5.06 4.97 -47.64 1 3 1 25 437.501 8 ↓

Analogs

34698243
34698243
34698244
34698244
34698245
34698245

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-[2-(4-fluorophenyl)ethyl]-4-piperidyl]methyl]-2-(3-methoxyphenyl)-N-methyl-acetamide N-[[1-[2-(4-fluorophenyl)ethyl]-…

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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) 4.27 2.85 -46.01 1 4 1 34 399.53 8 ↓

Analogs

12224594
12224594
55088433
55088433
55088435
55088435

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Popular Name: (2R)-2-dimethylamino-N-[[1-[2-(3-fluorophenyl)ethyl]-4-piperidyl]methyl]-N-methyl-2-(p-tolyl)acetami (2R)-2-dimethylamino-N-[[1-[2-(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) 4.47 4.26 -96.8 2 4 2 29 427.608 8 ↓

Analogs

55088433
55088433
55088435
55088435
12224583
12224583

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Popular Name: (2S)-2-dimethylamino-N-[[1-[2-(3-fluorophenyl)ethyl]-4-piperidyl]methyl]-N-methyl-2-(p-tolyl)acetami (2S)-2-dimethylamino-N-[[1-[2-(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) 4.47 4.22 -95.66 2 4 2 29 427.608 8 ↓

Analogs

12224583
12224583
12224594
12224594

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(dimethylamino)-N-[[1-[2-(3-fluorophenyl)ethyl]-4-piperidyl]methyl]-N-methyl-2-(p-tolyl)aceta (2S)-2-(dimethylamino)-N-[[1-[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) 4.47 13.38 -44.32 1 4 1 28 426.6 8 ↓

Analogs

12224583
12224583
12224594
12224594

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(dimethylamino)-N-[[1-[2-(3-fluorophenyl)ethyl]-4-piperidyl]methyl]-N-methyl-2-(p-tolyl)aceta (2R)-2-(dimethylamino)-N-[[1-[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) 4.47 13.32 -41.9 1 4 1 28 426.6 8 ↓

Parameters Provided:

ring.id = 48288
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 = 48288 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=48288&filter.purchasability=annotated

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