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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-(4-benzyl-2,3-dioxo-piperazin-1-yl)-N-(2,4-difluorophenyl)piperidine-1-carboxamide 4-(4-benzyl-2,3-dioxo-piperazin-…

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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) 2.30 10.85 -25.85 1 7 0 73 442.466 4 ↓

Analogs

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Popular Name: 4-(4-benzyl-2,3-dioxo-piperazin-1-yl)-N-(3-methylsulfanylphenyl)piperidine-1-carboxamide 4-(4-benzyl-2,3-dioxo-piperazin-…

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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) 2.45 11.67 -29.95 1 7 0 73 452.58 5 ↓

Analogs

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Popular Name: methyl methyl

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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) 2.19 11.28 -30.83 1 9 0 99 464.522 6 ↓

Analogs

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Popular Name: 4-(4-benzyl-2,3-dioxo-piperazin-1-yl)-N-(3-fluorophenyl)piperidine-1-carboxamide 4-(4-benzyl-2,3-dioxo-piperazin-…

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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) 2.18 10.7 -27.91 1 7 0 73 424.476 4 ↓

Analogs

8607067
8607067

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Popular Name: ethyl 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) 3.17 13.28 -28.75 1 9 0 99 492.576 7 ↓

Analogs

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Popular Name: 4-[2,3-dioxo-4-(p-tolylmethyl)piperazin-1-yl]-N-(o-tolyl)piperidine-1-carboxamide 4-[2,3-dioxo-4-(p-tolylmethyl)pi…

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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) 2.89 12.16 -28.62 1 7 0 73 434.54 4 ↓

Analogs

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Popular Name: N-(3-chloro-4-fluoro-phenyl)-4-[2,3-dioxo-4-(p-tolylmethyl)piperazin-1-yl]piperidine-1-carboxamide N-(3-chloro-4-fluoro-phenyl)-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) 3.26 11.9 -27.33 1 7 0 73 472.948 4 ↓

Analogs

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Popular Name: 4-[2,3-dioxo-4-(p-tolylmethyl)piperazin-1-yl]-N-(4-methoxyphenyl)piperidine-1-carboxamide 4-[2,3-dioxo-4-(p-tolylmethyl)pi…

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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) 2.55 10.62 -29.74 1 8 0 82 450.539 5 ↓

Analogs

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Popular Name: N-(2-bromophenyl)-4-[2,3-dioxo-4-(p-tolylmethyl)piperazin-1-yl]piperidine-1-carboxamide N-(2-bromophenyl)-4-[2,3-dioxo-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) 3.25 12.08 -27.03 1 7 0 73 499.409 4 ↓

Analogs

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Popular Name: N-(3-bromophenyl)-4-[2,3-dioxo-4-(p-tolylmethyl)piperazin-1-yl]piperidine-1-carboxamide N-(3-bromophenyl)-4-[2,3-dioxo-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) 3.28 11.94 -27.69 1 7 0 73 499.409 4 ↓

Analogs

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Popular Name: ethyl 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) 3.04 12.94 -31.87 1 9 0 99 492.576 7 ↓

Analogs

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Popular Name: N-(3-chloro-2-methyl-phenyl)-4-[2,3-dioxo-4-(p-tolylmethyl)piperazin-1-yl]piperidine-1-carboxamide N-(3-chloro-2-methyl-phenyl)-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) 3.52 12.59 -27.11 1 7 0 73 468.985 4 ↓

Analogs

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Popular Name: N-(2,4-dimethylphenyl)-4-[2,3-dioxo-4-(p-tolylmethyl)piperazin-1-yl]piperidine-1-carboxamide N-(2,4-dimethylphenyl)-4-[2,3-di…

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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) 3.32 12.83 -28.74 1 7 0 73 448.567 4 ↓

Analogs

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Popular Name: N-(2,4-dimethoxyphenyl)-4-[2,3-dioxo-4-(p-tolylmethyl)piperazin-1-yl]piperidine-1-carboxamide N-(2,4-dimethoxyphenyl)-4-[2,3-d…

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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) 2.53 10.05 -29.3 1 9 0 91 480.565 6 ↓

Analogs

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Popular Name: N-(3,5-dimethoxyphenyl)-4-[2,3-dioxo-4-(p-tolylmethyl)piperazin-1-yl]piperidine-1-carboxamide N-(3,5-dimethoxyphenyl)-4-[2,3-d…

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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) 2.53 9.92 -31.64 1 9 0 91 480.565 6 ↓

Analogs

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Popular Name: 4-[2,3-dioxo-4-(p-tolylmethyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide 4-[2,3-dioxo-4-(p-tolylmethyl)pi…

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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) 3.36 12.32 -27.68 1 7 0 73 488.51 5 ↓

Analogs

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Popular Name: 4-[2,3-dioxo-4-(p-tolylmethyl)piperazin-1-yl]-N-(2-methoxy-5-methyl-phenyl)piperidine-1-carboxamide 4-[2,3-dioxo-4-(p-tolylmethyl)pi…

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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) 2.92 11.43 -29.13 1 8 0 82 464.566 5 ↓

Analogs

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Popular Name: N-(2,4-difluorophenyl)-4-[2,3-dioxo-4-(p-tolylmethyl)piperazin-1-yl]piperidine-1-carboxamide N-(2,4-difluorophenyl)-4-[2,3-di…

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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 11.52 -25.92 1 7 0 73 456.493 4 ↓

Analogs

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Popular Name: 4-[2,3-dioxo-4-(p-tolylmethyl)piperazin-1-yl]-N-(3-methylsulfanylphenyl)piperidine-1-carboxamide 4-[2,3-dioxo-4-(p-tolylmethyl)pi…

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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) 2.90 12.33 -29.18 1 7 0 73 466.607 5 ↓

Analogs

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Popular Name: methyl methyl

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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) 2.64 11.95 -29.64 1 9 0 99 478.549 6 ↓

Analogs

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Popular Name: 4-[2,3-dioxo-4-(p-tolylmethyl)piperazin-1-yl]-N-(3-fluorophenyl)piperidine-1-carboxamide 4-[2,3-dioxo-4-(p-tolylmethyl)pi…

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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) 2.63 11.38 -28.02 1 7 0 73 438.503 4 ↓

Analogs

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Popular Name: N-(3-chloro-4-methyl-phenyl)-4-[4-[(3-fluorophenyl)methyl]-2,3-dioxo-piperazin-1-yl]piperidine-1-car N-(3-chloro-4-methyl-phenyl)-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) 3.24 11.82 -35.77 1 7 0 73 472.948 4 ↓

Analogs

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Popular Name: N-(3,4-dimethylphenyl)-4-[4-[(3-fluorophenyl)methyl]-2,3-dioxo-piperazin-1-yl]piperidine-1-carboxami N-(3,4-dimethylphenyl)-4-[4-[(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) 3.01 11.97 -32.81 1 7 0 73 452.53 4 ↓

Analogs

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Popular Name: 4-[4-[(3-fluorophenyl)methyl]-2,3-dioxo-piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]piperidine-1-ca 4-[4-[(3-fluorophenyl)methyl]-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) 3.03 11.96 -32.56 1 7 0 73 492.473 5 ↓

Parameters Provided:

ring.id = 374274
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 = 374274 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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