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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-(2-tert-butyl-4-chloro-phenoxy)butyl]-4-methyl-piperazine 1-[4-(2-tert-butyl-4-chloro-phen…

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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) 4.77 10.26 -38.95 1 3 1 17 339.931 7 ↓
Hi High (pH 8-9.5) 4.77 7.93 -3.13 0 3 0 16 338.923 7 ↓
Mid Mid (pH 6-8) 4.77 10.4 -35.78 1 3 1 17 339.931 7 ↓

Analogs

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Popular Name: 1-[4-(2,5-dichlorophenoxy)butyl]piperazine 1-[4-(2,5-dichlorophenoxy)butyl]…

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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) 3.15 5.91 -39.54 2 3 1 29 304.241 6 ↓
Lo Low (pH 4.5-6) 3.15 6.83 -36.21 2 3 1 26 304.241 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-(2-allyl-4-methyl-phenoxy)butyl]-4-methyl-piperazine 1-[4-(2-allyl-4-methyl-phenoxy)b…

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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) 3.66 9.77 -37.75 1 3 1 17 303.47 8 ↓
Hi High (pH 8-9.5) 3.66 7.44 -4.01 0 3 0 16 302.462 8 ↓
Mid Mid (pH 6-8) 3.66 9.91 -35.83 1 3 1 17 303.47 8 ↓

Analogs

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Popular Name: 1-[4-(4-ethoxyphenoxy)butyl]-4-methyl-piperazine 1-[4-(4-ethoxyphenoxy)butyl]-4-m…

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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 7.26 -39.61 1 4 1 26 293.431 8 ↓
Hi High (pH 8-9.5) 2.89 4.93 -4.9 0 4 0 25 292.423 8 ↓
Mid Mid (pH 6-8) 2.89 7.4 -37.34 1 4 1 26 293.431 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-methyl-4-[4-(2-sec-butylphenoxy)butyl]piperazine 1-methyl-4-[4-(2-sec-butylphenox…

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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) 3.79 9.75 -37.4 1 3 1 17 305.486 8 ↓
Hi High (pH 8-9.5) 3.79 7.42 -3.89 0 3 0 16 304.478 8 ↓
Mid Mid (pH 6-8) 3.79 9.89 -35.61 1 3 1 17 305.486 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-methyl-4-[4-(2-sec-butylphenoxy)butyl]piperazine 1-methyl-4-[4-(2-sec-butylphenox…

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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) 3.79 9.74 -37.42 1 3 1 17 305.486 8 ↓
Hi High (pH 8-9.5) 3.79 7.41 -3.88 0 3 0 16 304.478 8 ↓
Mid Mid (pH 6-8) 3.79 9.88 -35.63 1 3 1 17 305.486 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-methyl-4-[4-(4-sec-butylphenoxy)butyl]piperazine 1-methyl-4-[4-(4-sec-butylphenox…

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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) 4.31 9.63 -37.52 1 3 1 17 305.486 8 ↓
Hi High (pH 8-9.5) 4.31 7.3 -3.66 0 3 0 16 304.478 8 ↓
Mid Mid (pH 6-8) 4.31 9.77 -35.65 1 3 1 17 305.486 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-methyl-4-[4-(4-sec-butylphenoxy)butyl]piperazine 1-methyl-4-[4-(4-sec-butylphenox…

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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) 4.31 9.64 -37.48 1 3 1 17 305.486 8 ↓
Hi High (pH 8-9.5) 4.31 7.31 -3.65 0 3 0 16 304.478 8 ↓
Mid Mid (pH 6-8) 4.31 9.78 -35.66 1 3 1 17 305.486 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-[4-(1,1-dimethylpropyl)phenoxy]butyl]-4-methyl-piperazine 1-[4-[4-(1,1-dimethylpropyl)phen…

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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) 4.49 9.9 -37.4 1 3 1 17 319.513 8 ↓
Hi High (pH 8-9.5) 4.49 7.57 -3.59 0 3 0 16 318.505 8 ↓
Mid Mid (pH 6-8) 4.49 10.04 -35.56 1 3 1 17 319.513 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-(4-bromo-2-methyl-phenoxy)butyl]-4-methyl-piperazine 1-[4-(4-bromo-2-methyl-phenoxy)b…

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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) 3.64 8.37 -38.92 1 3 1 17 342.301 6 ↓
Hi High (pH 8-9.5) 3.64 6.04 -3.56 0 3 0 16 341.293 6 ↓
Mid Mid (pH 6-8) 3.64 8.51 -36.08 1 3 1 17 342.301 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-(2,5-dimethylphenoxy)butyl]piperazine 1-[4-(2,5-dimethylphenoxy)butyl]…

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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) 2.69 6.14 -41.75 2 3 1 29 263.405 6 ↓
Lo Low (pH 4.5-6) 2.69 7.11 -36.83 2 3 1 26 263.405 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-(3,4-dichlorophenoxy)butyl]-4-methyl-piperazine 1-[4-(3,4-dichlorophenoxy)butyl]…

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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) 3.74 8.01 -40.86 1 3 1 17 318.268 6 ↓
Hi High (pH 8-9.5) 3.74 5.68 -4.2 0 3 0 16 317.26 6 ↓
Mid Mid (pH 6-8) 3.74 8.15 -37.36 1 3 1 17 318.268 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-(3-ethoxyphenoxy)butyl]-4-methyl-piperazine 1-[4-(3-ethoxyphenoxy)butyl]-4-m…

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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) 2.87 7.28 -40.1 1 4 1 26 293.431 8 ↓
Hi High (pH 8-9.5) 2.87 4.95 -5.92 0 4 0 25 292.423 8 ↓
Mid Mid (pH 6-8) 2.87 7.42 -38.03 1 4 1 26 293.431 8 ↓

Analogs

34854518
34854518

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Popular Name: 1-[4-(2,3,6-trimethylphenoxy)butyl]piperazine 1-[4-(2,3,6-trimethylphenoxy)but…

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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) 3.06 6.93 -39.65 2 3 1 29 277.432 6 ↓
Lo Low (pH 4.5-6) 3.06 7.85 -35.47 2 3 1 26 277.432 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[4-(4-methylpiperazin-1-yl)butoxy]phenyl]methanol [4-[4-(4-methylpiperazin-1-yl)bu…

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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) 1.80 4.25 -39.42 2 4 1 37 279.404 7 ↓
Hi High (pH 8-9.5) 1.80 1.99 -6.22 1 4 0 36 278.396 7 ↓
Mid Mid (pH 6-8) 1.80 4.37 -37.51 2 4 1 37 279.404 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-(2-methylphenoxy)butyl]piperazine 1-[4-(2-methylphenoxy)butyl]pipe…

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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) 2.26 5.59 -39.77 2 3 1 29 249.378 6 ↓
Lo Low (pH 4.5-6) 2.26 7.84 -116.04 3 3 2 30 250.386 6 ↓
Lo Low (pH 4.5-6) 2.26 6.5 -35.99 2 3 1 26 249.378 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-(4-methylphenoxy)butyl]piperazine 1-[4-(4-methylphenoxy)butyl]pipe…

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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) 2.31 5.51 -39.79 2 3 1 29 249.378 6 ↓
Lo Low (pH 4.5-6) 2.31 7.77 -116 3 3 2 30 250.386 6 ↓
Lo Low (pH 4.5-6) 2.31 6.43 -36.07 2 3 1 26 249.378 6 ↓

Analogs

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Popular Name: (2S)-2-methyl-1-[4-(4-methylphenoxy)butyl]piperazine (2S)-2-methyl-1-[4-(4-methylphen…

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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 6.05 -40.09 2 3 1 29 263.405 6 ↓
Hi High (pH 8-9.5) 2.64 4.73 -4.09 1 3 0 24 262.397 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-methyl-1-[4-(4-methylphenoxy)butyl]piperazine (2R)-2-methyl-1-[4-(4-methylphen…

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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 6.05 -40.11 2 3 1 29 263.405 6 ↓
Hi High (pH 8-9.5) 2.64 4.71 -3.68 1 3 0 24 262.397 6 ↓

Analogs

20272297
20272297

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Popular Name: 1-[4-(3-tert-butylphenoxy)butyl]piperazine 1-[4-(3-tert-butylphenoxy)butyl]…

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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) 3.54 7.15 -39.53 2 3 1 29 291.459 7 ↓
Lo Low (pH 4.5-6) 3.54 9.41 -115.7 3 3 2 30 292.467 7 ↓
Lo Low (pH 4.5-6) 3.54 8.07 -35.73 2 3 1 26 291.459 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-(2,4-dichlorophenoxy)butyl]piperazine 1-[4-(2,4-dichlorophenoxy)butyl]…

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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) 3.15 5.9 -40.88 2 3 1 29 304.241 6 ↓
Lo Low (pH 4.5-6) 3.15 8.16 -118.92 3 3 2 30 305.249 6 ↓
Lo Low (pH 4.5-6) 3.15 6.82 -38.13 2 3 1 26 304.241 6 ↓

Parameters Provided:

ring.id = 22317
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 = 22317 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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