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

Analogs

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Popular Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]prop-2-en-1-one 1-[4-(2,3-dihydro-1,4-benzodioxi…

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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) 1.11 4.51 -12.68 0 5 0 42 288.347 3 ↓
Mid Mid (pH 6-8) 1.11 6.74 -48.52 1 5 1 43 289.355 3 ↓

Analogs

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Popular Name: 2-[(2S)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-isobutyl-piperazin-2-yl]ethanol 2-[(2S)-4-(2,3-dihydro-1,4-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) 1.89 4.59 -37.31 2 5 1 46 335.468 6 ↓
Hi High (pH 8-9.5) 1.89 2.51 -7.12 1 5 0 45 334.46 6 ↓
Mid Mid (pH 6-8) 1.89 5.2 -43.15 2 5 1 46 335.468 6 ↓

Analogs

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Popular Name: 1-[(7-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-4-(2,2-difluoroethyl)piperazine 1-[(7-bromo-2,3-dihydro-1,4-benz…

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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 4.49 -7.38 0 4 0 25 377.229 4 ↓
Mid Mid (pH 6-8) 2.45 6.68 -35.43 1 4 1 26 378.237 4 ↓

Analogs

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Popular Name: (2S,6R)-1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2,6-dimethyl-piperazine (2S,6R)-1-[(6-bromo-2,3-dihydro-…

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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) 1.94 5.78 -41.32 2 4 1 38 342.257 2 ↓
Hi High (pH 8-9.5) 1.94 4.47 -4.41 1 4 0 34 341.249 2 ↓

Analogs

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Popular Name: (2S,6S)-1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2,6-dimethyl-piperazine (2S,6S)-1-[(6-bromo-2,3-dihydro-…

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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) 1.94 4.46 -40.32 2 4 1 38 342.257 2 ↓
Hi High (pH 8-9.5) 1.94 3.12 -4.4 1 4 0 34 341.249 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,6R)-1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2,6-dimethyl-piperazine (2R,6R)-1-[(6-bromo-2,3-dihydro-…

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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) 1.94 4.48 -40.37 2 4 1 38 342.257 2 ↓
Hi High (pH 8-9.5) 1.94 3.32 -4.43 1 4 0 34 341.249 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,6R)-1-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2,6-dimethyl-piperazine (2S,6R)-1-[(5-chloro-2,3-dihydro…

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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) 2.01 3.72 -40.11 2 4 1 38 297.806 2 ↓
Hi High (pH 8-9.5) 2.01 2.4 -5.85 1 4 0 34 296.798 2 ↓

Analogs

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Popular Name: (2S,6S)-1-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2,6-dimethyl-piperazine (2S,6S)-1-[(5-chloro-2,3-dihydro…

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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) 2.01 4.4 -42.27 2 4 1 38 297.806 2 ↓
Hi High (pH 8-9.5) 2.01 3.24 -5.21 1 4 0 34 296.798 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,6R)-1-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2,6-dimethyl-piperazine (2R,6R)-1-[(5-chloro-2,3-dihydro…

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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) 2.01 4.26 -41.88 2 4 1 38 297.806 2 ↓
Hi High (pH 8-9.5) 2.01 3.09 -5.14 1 4 0 34 296.798 2 ↓

Analogs

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Popular Name: (2S)-2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]butanamide (2S)-2-[4-(2,3-dihydro-1,4-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) 1.30 3.25 -39.01 3 6 1 69 320.413 5 ↓
Mid Mid (pH 6-8) 1.30 1.01 -11.23 2 6 0 68 319.405 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]butanamide (2R)-2-[4-(2,3-dihydro-1,4-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) 1.30 3.15 -38.61 3 6 1 69 320.413 5 ↓
Mid Mid (pH 6-8) 1.30 0.91 -10.87 2 6 0 68 319.405 5 ↓

Analogs

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Popular Name: (2S)-2-(8-chloro-2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperazin-1-yl-acetonitrile (2S)-2-(8-chloro-2,3-dihydro-1,4…

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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) 1.32 3.89 -50.06 2 5 1 62 294.762 2 ↓
Hi High (pH 8-9.5) 1.32 2.53 -7.92 1 5 0 58 293.754 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(8-chloro-2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperazin-1-yl-acetonitrile (2R)-2-(8-chloro-2,3-dihydro-1,4…

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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) 1.32 3.8 -50.27 2 5 1 62 294.762 2 ↓
Hi High (pH 8-9.5) 1.32 2.43 -8.04 1 5 0 58 293.754 2 ↓

Analogs

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Popular Name: (2R)-2-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(4-methylpiperazin-1-yl)ethanamine (2R)-2-(5-bromo-2,3-dihydro-1,4-…

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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) 1.06 3.94 -103.67 4 5 2 54 358.28 3 ↓
Mid Mid (pH 6-8) 1.06 1.57 -49.55 3 5 1 53 357.272 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(4-methylpiperazin-1-yl)ethanamine (2S)-2-(5-bromo-2,3-dihydro-1,4-…

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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) 1.06 3.89 -110.26 4 5 2 54 358.28 3 ↓
Mid Mid (pH 6-8) 1.06 1.51 -50.77 3 5 1 53 357.272 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(8-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperazin-1-yl-acetonitrile (2S)-2-(8-bromo-2,3-dihydro-1,4-…

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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) 1.45 4 -49.93 2 5 1 62 339.213 2 ↓
Hi High (pH 8-9.5) 1.45 2.65 -7.89 1 5 0 58 338.205 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(8-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperazin-1-yl-acetonitrile (2R)-2-(8-bromo-2,3-dihydro-1,4-…

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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) 1.45 3.92 -50.09 2 5 1 62 339.213 2 ↓
Hi High (pH 8-9.5) 1.45 2.56 -7.94 1 5 0 58 338.205 2 ↓

Analogs

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Popular Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperazin-1-yl-propan-1-ol (2S)-2-(2,3-dihydro-1,4-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) 0.54 0.92 -43.97 3 5 1 59 279.36 3 ↓

Analogs

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Popular Name: (2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperazin-1-yl-propan-1-ol (2R)-2-(2,3-dihydro-1,4-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) 0.54 0.83 -44.89 3 5 1 59 279.36 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(8-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperazin-1-yl-ethanol (2S)-2-(8-bromo-2,3-dihydro-1,4-…

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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) 1.03 1.2 -43.67 3 5 1 59 344.229 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(8-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperazin-1-yl-ethanol (2R)-2-(8-bromo-2,3-dihydro-1,4-…

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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) 1.03 1.19 -43.57 3 5 1 59 344.229 3 ↓

Analogs

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Popular Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperazin-1-yl-ethanol (2S)-2-(2,3-dihydro-1,4-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) 0.10 0.54 -43.36 3 5 1 59 265.333 3 ↓

Analogs

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Popular Name: (2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperazin-1-yl-ethanol (2R)-2-(2,3-dihydro-1,4-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) 0.10 0.53 -43.09 3 5 1 59 265.333 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(8-chloro-2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperazin-1-yl-ethanol (2S)-2-(8-chloro-2,3-dihydro-1,4…

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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) 0.90 1.08 -43.87 3 5 1 59 299.778 3 ↓

Analogs

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Popular Name: (2R)-2-(8-chloro-2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperazin-1-yl-ethanol (2R)-2-(8-chloro-2,3-dihydro-1,4…

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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) 0.90 1.06 -43.79 3 5 1 59 299.778 3 ↓

Parameters Provided:

ring.id = 39053
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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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 = 39053 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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