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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

Draw Identity 99% 90% 80% 70%

Popular Name: N-allyl-2-[4-(7-chloro-1,3-benzodioxole-5-carbonyl)piperazin-1-yl]acetamide N-allyl-2-[4-(7-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) 1.54 3.08 -12.04 1 7 0 71 365.817 5 ↓

Analogs

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Popular Name: 1-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-2-methyl-propan-1-one 1-[4-(1,3-benzodioxole-5-carbony…

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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) 1.13 5.21 -12.23 0 6 0 59 304.346 2 ↓

Analogs

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Popular Name: 1,3-benzodioxol-5-yl-[(2S,6R)-2,6-dimethylpiperazin-1-yl]methanone 1,3-benzodioxol-5-yl-[(2S,6R)-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) 0.75 3.43 -51.14 2 5 1 55 263.317 1 ↓
Mid Mid (pH 6-8) 0.75 2.1 -7.84 1 5 0 51 262.309 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,3-benzodioxol-5-yl-[(2S,6S)-2,6-dimethylpiperazin-1-yl]methanone 1,3-benzodioxol-5-yl-[(2S,6S)-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) 0.75 3.92 -56.77 2 5 1 55 263.317 1 ↓
Mid Mid (pH 6-8) 0.75 2.6 -9.8 1 5 0 51 262.309 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,3-benzodioxol-5-yl-[(2R,6R)-2,6-dimethylpiperazin-1-yl]methanone 1,3-benzodioxol-5-yl-[(2R,6R)-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) 0.75 3.91 -53.89 2 5 1 55 263.317 1 ↓
Mid Mid (pH 6-8) 0.75 2.56 -10.16 1 5 0 51 262.309 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,3-benzodioxol-5-yl-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]methanone 1,3-benzodioxol-5-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) 0.92 1.66 -11.63 1 6 0 62 306.362 4 ↓
Lo Low (pH 4.5-6) 0.92 3.93 -49.87 2 6 1 63 307.37 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,3-benzodioxol-5-yl-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]methanone 1,3-benzodioxol-5-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) 0.92 1.69 -11.14 1 6 0 62 306.362 4 ↓
Lo Low (pH 4.5-6) 0.92 3.88 -49.98 2 6 1 63 307.37 4 ↓

Analogs

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Popular Name: 1,3-benzodioxol-5-yl-[4-[(2S)-2-hydroxy-3,3-dimethyl-butyl]piperazin-1-yl]methanone 1,3-benzodioxol-5-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) 1.74 2.77 -11.27 1 6 0 62 334.416 4 ↓
Mid Mid (pH 6-8) 1.74 5.05 -50.21 2 6 1 63 335.424 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,3-benzodioxol-5-yl-[4-[(2R)-2-hydroxy-3,3-dimethyl-butyl]piperazin-1-yl]methanone 1,3-benzodioxol-5-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) 1.74 2.83 -10.71 1 6 0 62 334.416 4 ↓
Mid Mid (pH 6-8) 1.74 4.99 -50.33 2 6 1 63 335.424 4 ↓

Analogs

44456880
44456880

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Popular Name: 1,3-benzodioxol-5-yl-(4-ethylsulfonylpiperazin-1-yl)methanone 1,3-benzodioxol-5-yl-(4-ethylsul…

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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) 0.44 2.47 -19.08 0 7 0 76 326.374 3 ↓

Analogs

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Popular Name: 1,3-benzodioxol-5-yl-[(3R)-3-ethylpiperazin-1-yl]methanone 1,3-benzodioxol-5-yl-[(3R)-3-eth…

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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) 1.31 4.19 -50.98 2 5 1 55 263.317 2 ↓
Mid Mid (pH 6-8) 1.31 2.95 -10.21 1 5 0 51 262.309 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,3-benzodioxol-5-yl-[(3S)-3-ethylpiperazin-1-yl]methanone 1,3-benzodioxol-5-yl-[(3S)-3-eth…

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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) 1.31 4.18 -50.03 2 5 1 55 263.317 2 ↓
Mid Mid (pH 6-8) 1.31 3.08 -10.49 1 5 0 51 262.309 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]thioacetamide 2-[4-(1,3-benzodioxole-5-carbony…

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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) -0.40 2.34 -13.26 2 6 0 68 307.375 3 ↓
Mid Mid (pH 6-8) -0.40 3.85 -51.6 3 6 1 69 308.383 3 ↓

Parameters Provided:

ring.id = 35572
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 = 35572 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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