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

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Popular Name: [6-[(1S,3R)-3-methoxycyclohexoxy]-1,3-benzodioxol-5-yl]methanamine [6-[(1S,3R)-3-methoxycyclohexoxy…

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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) 2.13 3.01 -46.33 3 5 1 65 280.344 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [6-[(1S,3S)-3-methoxycyclohexoxy]-1,3-benzodioxol-5-yl]methanamine [6-[(1S,3S)-3-methoxycyclohexoxy…

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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) 2.13 3.11 -49.36 3 5 1 65 280.344 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [6-[(1R,3R)-3-methoxycyclohexoxy]-1,3-benzodioxol-5-yl]methanamine [6-[(1R,3R)-3-methoxycyclohexoxy…

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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) 2.13 3.17 -47.4 3 5 1 65 280.344 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [6-[(1R,3S)-3-methoxycyclohexoxy]-1,3-benzodioxol-5-yl]methanamine [6-[(1R,3S)-3-methoxycyclohexoxy…

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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) 2.13 3.01 -46.49 3 5 1 65 280.344 4 ↓

Analogs

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Popular Name: 1-[6-[(1R,3S)-3-methoxycyclohexoxy]-1,3-benzodioxol-5-yl]-N-methyl-methanamine 1-[6-[(1R,3S)-3-methoxycyclohexo…

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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) 2.51 4.88 -40.66 2 5 1 54 294.371 5 ↓

Analogs

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Popular Name: 1-[6-[(1S,3S)-3-methoxycyclohexoxy]-1,3-benzodioxol-5-yl]-N-methyl-methanamine 1-[6-[(1S,3S)-3-methoxycyclohexo…

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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) 2.51 5.05 -41.83 2 5 1 54 294.371 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[6-[(1R,3R)-3-methoxycyclohexoxy]-1,3-benzodioxol-5-yl]-N-methyl-methanamine 1-[6-[(1R,3R)-3-methoxycyclohexo…

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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) 2.51 4.99 -42.69 2 5 1 54 294.371 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[6-[(1S,3R)-3-methoxycyclohexoxy]-1,3-benzodioxol-5-yl]-N-methyl-methanamine 1-[6-[(1S,3R)-3-methoxycyclohexo…

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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) 2.51 4.88 -40.51 2 5 1 54 294.371 5 ↓

Analogs

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Popular Name: 6-[(1S,3R)-3-methoxycyclohexoxy]-1,3-benzodioxole-5-carbaldehyde 6-[(1S,3R)-3-methoxycyclohexoxy]…

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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 4.72 -8.06 0 5 0 54 278.304 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(1S,3S)-3-methoxycyclohexoxy]-1,3-benzodioxole-5-carbaldehyde 6-[(1S,3S)-3-methoxycyclohexoxy]…

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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 4.83 -8.11 0 5 0 54 278.304 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(1R,3R)-3-methoxycyclohexoxy]-1,3-benzodioxole-5-carbaldehyde 6-[(1R,3R)-3-methoxycyclohexoxy]…

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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 4.88 -7.49 0 5 0 54 278.304 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(1R,3S)-3-methoxycyclohexoxy]-1,3-benzodioxole-5-carbaldehyde 6-[(1R,3S)-3-methoxycyclohexoxy]…

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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 4.72 -8.08 0 5 0 54 278.304 4 ↓

Analogs

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Popular Name: 6-[(1S,3R)-3-methoxycyclohexoxy]-1,3-benzodioxole-5-carboxylic 6-[(1S,3R)-3-methoxycyclohexoxy]…

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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) 2.94 6.23 -54.46 0 6 -1 77 293.295 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(1S,3S)-3-methoxycyclohexoxy]-1,3-benzodioxole-5-carboxylic 6-[(1S,3S)-3-methoxycyclohexoxy]…

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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) 2.94 6.27 -53.58 0 6 -1 77 293.295 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(1R,3R)-3-methoxycyclohexoxy]-1,3-benzodioxole-5-carboxylic 6-[(1R,3R)-3-methoxycyclohexoxy]…

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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) 2.94 6.39 -52.4 0 6 -1 77 293.295 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(1R,3S)-3-methoxycyclohexoxy]-1,3-benzodioxole-5-carboxylic 6-[(1R,3S)-3-methoxycyclohexoxy]…

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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) 2.94 6.23 -54.55 0 6 -1 77 293.295 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [6-[(1S,3R)-3-methoxycyclohexoxy]-1,3-benzodioxol-5-yl]methanol [6-[(1S,3R)-3-methoxycyclohexoxy…

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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) 2.29 2.46 -7.38 1 5 0 57 280.32 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [6-[(1S,3S)-3-methoxycyclohexoxy]-1,3-benzodioxol-5-yl]methanol [6-[(1S,3S)-3-methoxycyclohexoxy…

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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) 2.29 2.56 -7.32 1 5 0 57 280.32 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [6-[(1R,3R)-3-methoxycyclohexoxy]-1,3-benzodioxol-5-yl]methanol [6-[(1R,3R)-3-methoxycyclohexoxy…

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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) 2.29 2.62 -7.53 1 5 0 57 280.32 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [6-[(1R,3S)-3-methoxycyclohexoxy]-1,3-benzodioxol-5-yl]methanol [6-[(1R,3S)-3-methoxycyclohexoxy…

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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) 2.29 2.46 -7.4 1 5 0 57 280.32 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[6-[(1S,3R)-3-methoxycyclohexoxy]-1,3-benzodioxol-5-yl]ethanamine 2-[6-[(1S,3R)-3-methoxycyclohexo…

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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) 1.93 3.8 -47.95 3 5 1 65 294.371 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[6-[(1S,3S)-3-methoxycyclohexoxy]-1,3-benzodioxol-5-yl]ethanamine 2-[6-[(1S,3S)-3-methoxycyclohexo…

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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) 1.93 3.89 -51.1 3 5 1 65 294.371 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[6-[(1R,3R)-3-methoxycyclohexoxy]-1,3-benzodioxol-5-yl]ethanamine 2-[6-[(1R,3R)-3-methoxycyclohexo…

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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) 1.93 3.96 -49.83 3 5 1 65 294.371 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[6-[(1R,3S)-3-methoxycyclohexoxy]-1,3-benzodioxol-5-yl]ethanamine 2-[6-[(1R,3S)-3-methoxycyclohexo…

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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) 1.93 3.8 -48.01 3 5 1 65 294.371 5 ↓

Parameters Provided:

ring.id = 536792
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 = 536792 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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