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

45652483
45652483
45652485
45652485

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Popular Name: N-(6-chloro-1,3-benzodioxol-5-yl)-1-methyl-piperidin-4-amine N-(6-chloro-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) 3.38 5.77 -40.46 2 4 1 35 269.752 2 ↓

Analogs

45652483
45652483
45652485
45652485

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Popular Name: N-(6-chloro-1,3-benzodioxol-5-yl)-1-isopropyl-piperidin-4-amine N-(6-chloro-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) 4.05 6.95 -38.2 2 4 1 35 297.806 3 ↓

Analogs

45652483
45652483
45652485
45652485

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Popular Name: N-(6-chloro-1,3-benzodioxol-5-yl)-1-ethyl-piperidin-4-amine N-(6-chloro-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) 3.75 6.43 -39.5 2 4 1 35 283.779 3 ↓

Analogs

45652483
45652483
45652485
45652485

Draw Identity 99% 90% 80% 70%

Popular Name: N-(6-chloro-1,3-benzodioxol-5-yl)-1-propyl-piperidin-4-amine N-(6-chloro-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) 4.26 7.17 -40.25 2 4 1 35 297.806 4 ↓

Analogs

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Popular Name: (2R,4S,5R)-N-(6-chloro-1,3-benzodioxol-5-yl)-1,2,5-trimethyl-piperidin-4-amine (2R,4S,5R)-N-(6-chloro-1,3-benzo…

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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) 4.18 6.94 -38.85 2 4 1 35 297.806 2 ↓

Analogs

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Popular Name: (2S,4S,5R)-N-(6-chloro-1,3-benzodioxol-5-yl)-1,2,5-trimethyl-piperidin-4-amine (2S,4S,5R)-N-(6-chloro-1,3-benzo…

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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) 4.18 7.27 -38.45 2 4 1 35 297.806 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R,5R)-N-(6-chloro-1,3-benzodioxol-5-yl)-1,2,5-trimethyl-piperidin-4-amine (2R,4R,5R)-N-(6-chloro-1,3-benzo…

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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) 4.18 6.64 -39.44 2 4 1 35 297.806 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R,5R)-N-(6-chloro-1,3-benzodioxol-5-yl)-1,2,5-trimethyl-piperidin-4-amine (2S,4R,5R)-N-(6-chloro-1,3-benzo…

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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) 4.18 6.95 -39.32 2 4 1 35 297.806 2 ↓

Analogs

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Popular Name: 1-[4-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-1-piperidyl]ethanone 1-[4-[(2,2-difluoro-1,3-benzodio…

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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) 2.76 4.53 -12.52 1 5 0 51 298.289 2 ↓

Analogs

37877461
37877461
37877462
37877462

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Popular Name: N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-prop-2-ynyl-piperidin-4-amine N-(2,2-difluoro-1,3-benzodioxol-…

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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) 3.56 6.81 -46.33 2 4 1 35 295.309 3 ↓
Mid Mid (pH 6-8) 3.56 4.53 -6.41 1 4 0 34 294.301 3 ↓

Analogs

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Popular Name: 4-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]piperidine-1-carboxamide 4-[(2,2-difluoro-1,3-benzodioxol…

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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) 2.68 2 -13.61 3 6 0 77 299.277 2 ↓

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) 3.22 4.92 -11.03 1 6 0 60 292.335 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1,3-benzodioxol-5-yl)-1-prop-2-ynyl-piperidin-4-amine N-(1,3-benzodioxol-5-yl)-1-prop-…

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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) 2.93 6.38 -44.09 2 4 1 35 259.329 3 ↓
Mid Mid (pH 6-8) 2.93 4.09 -6.74 1 4 0 34 258.321 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1,3-benzodioxol-5-yl)-1-(3-methylbut-2-enyl)piperidin-4-amine N-(1,3-benzodioxol-5-yl)-1-(3-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) 4.45 7.85 -42.51 2 4 1 35 289.399 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(1,3-benzodioxol-5-ylamino)piperidine-1-carboxamide 4-(1,3-benzodioxol-5-ylamino)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) 2.05 1.58 -13.46 3 6 0 77 263.297 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1,3-benzodioxol-5-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine N-(1,3-benzodioxol-5-yl)-1-(2,2,…

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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 4.12 -7.7 1 4 0 34 302.296 4 ↓
Mid Mid (pH 6-8) 3.70 6.22 -48.91 2 4 1 35 303.304 4 ↓

Analogs

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Popular Name: N-(1,3-benzodioxol-5-yl)-2-methoxy-N-(4-piperidyl)acetamide N-(1,3-benzodioxol-5-yl)-2-metho…

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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) 1.06 4.17 -67.07 2 6 1 65 293.343 4 ↓

Analogs

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Popular Name: N-(1,3-benzodioxol-5-yl)-N-(4-piperidyl)butanamide N-(1,3-benzodioxol-5-yl)-N-(4-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) 1.84 5.65 -63.07 2 5 1 55 291.371 4 ↓

Analogs

45652483
45652483
45652485
45652485

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-[(6-chloro-1,3-benzodioxol-5-yl)amino]-1-piperidyl]ethanone 1-[4-[(6-chloro-1,3-benzodioxol-…

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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) 2.74 4.7 -10.58 1 5 0 51 296.754 2 ↓

Analogs

45652483
45652483
45652485
45652485

Draw Identity 99% 90% 80% 70%

Popular Name: N-(6-chloro-1,3-benzodioxol-5-yl)-1-prop-2-ynyl-piperidin-4-amine N-(6-chloro-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) 3.54 6.97 -41.65 2 4 1 35 293.774 3 ↓
Mid Mid (pH 6-8) 3.54 4.69 -5.37 1 4 0 34 292.766 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(6-chloro-1,3-benzodioxol-5-yl)amino]piperidine-1-carboxamide 4-[(6-chloro-1,3-benzodioxol-5-y…

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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) 2.65 2.18 -12 3 6 0 77 297.742 2 ↓

Parameters Provided:

ring.id = 125792
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 = 125792 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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