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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: 1,3-benzodioxol-4-yl-[4-[(2S)-2-hydroxy-3,3-dimethyl-butyl]piperazin-1-yl]methanone 1,3-benzodioxol-4-yl-[4-[(2S)-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) 2.27 2.92 -13.33 1 6 0 62 334.416 4 ↓
Mid Mid (pH 6-8) 2.27 5.09 -49.08 2 6 1 63 335.424 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,3-benzodioxol-4-yl-[4-[(2R)-2-hydroxy-3,3-dimethyl-butyl]piperazin-1-yl]methanone 1,3-benzodioxol-4-yl-[4-[(2R)-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) 2.27 2.84 -14.15 1 6 0 62 334.416 4 ↓
Mid Mid (pH 6-8) 2.27 5.07 -50.67 2 6 1 63 335.424 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,3-benzodioxol-4-yl-[4-(2-hydroxy-2-methyl-propyl)piperazin-1-yl]methanone 1,3-benzodioxol-4-yl-[4-(2-hydro…

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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) 1.39 2.62 -14.96 1 6 0 62 306.362 3 ↓
Lo Low (pH 4.5-6) 1.39 4.27 -48.46 2 6 1 63 307.37 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,3-benzodioxol-4-yl-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]methanone 1,3-benzodioxol-4-yl-[4-[(2S)-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) 1.44 1.67 -13.75 1 6 0 62 306.362 4 ↓
Lo Low (pH 4.5-6) 1.44 3.95 -49.24 2 6 1 63 307.37 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,3-benzodioxol-4-yl-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]methanone 1,3-benzodioxol-4-yl-[4-[(2R)-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) 1.44 1.73 -14.57 1 6 0 62 306.362 4 ↓
Lo Low (pH 4.5-6) 1.44 3.99 -50.29 2 6 1 63 307.37 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,3-benzodioxol-4-yl-[4-[(2R)-3-ethoxy-2-hydroxy-propyl]piperazin-1-yl]methanone 1,3-benzodioxol-4-yl-[4-[(2R)-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) 0.93 1.24 -15.37 1 7 0 71 336.388 6 ↓
Lo Low (pH 4.5-6) 0.93 3.43 -51.14 2 7 1 73 337.396 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,3-benzodioxol-4-yl-[4-[(2S)-3-ethoxy-2-hydroxy-propyl]piperazin-1-yl]methanone 1,3-benzodioxol-4-yl-[4-[(2S)-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) 0.93 1.17 -16.63 1 7 0 71 336.388 6 ↓
Lo Low (pH 4.5-6) 0.93 3.42 -53 2 7 1 73 337.396 6 ↓

Parameters Provided:

ring.id = 450369
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 = 450369 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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