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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

1597415
1597415

Draw Identity 99% 90% 80% 70%

Popular Name: (benzo[1,3]dioxol-5-yl-cyclohexyl-methyl) (benzo[1,3]dioxol-5-yl-cyclohexy…

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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) 4.50 1.9 -8.01 0 4 0 44 290.359 5 ↓

Analogs

36906459
36906459
36906460
36906460
13564837
13564837
3739154
3739154

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Popular Name: (R)-1,3-benzodioxol-5-yl(cyclohexyl)methanamine (R)-1,3-benzodioxol-5-yl(cyclohe…

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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) 1.61 5.07 -52.92 3 3 1 46 234.319 2 ↓

Analogs

36906459
36906459
36906460
36906460
13564837
13564837
3739154
3739154

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-1,3-benzodioxol-5-yl(cyclohexyl)methanamine (S)-1,3-benzodioxol-5-yl(cyclohe…

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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) 1.61 5.07 -52.53 3 3 1 46 234.319 2 ↓

Analogs

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Popular Name: (R)-(7-bromo-1,3-benzodioxol-5-yl)-cyclohexyl-methanol (R)-(7-bromo-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) 4.04 5.24 -5.39 1 3 0 39 313.191 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(7-bromo-1,3-benzodioxol-5-yl)-cyclohexyl-methanol (S)-(7-bromo-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) 4.04 5.39 -5.29 1 3 0 39 313.191 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(7-bromo-1,3-benzodioxol-5-yl)-[(1S,2R)-2-ethylcyclohexyl]methanol (S)-(7-bromo-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) 4.79 6.09 -5.24 1 3 0 39 341.245 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(7-bromo-1,3-benzodioxol-5-yl)-[(1S,2S)-2-ethylcyclohexyl]methanol (S)-(7-bromo-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) 4.79 6.13 -5.17 1 3 0 39 341.245 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(7-bromo-1,3-benzodioxol-5-yl)-[(1R,2R)-2-ethylcyclohexyl]methanol (S)-(7-bromo-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) 4.79 6.49 -5.04 1 3 0 39 341.245 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(7-bromo-1,3-benzodioxol-5-yl)-[(1R,2S)-2-ethylcyclohexyl]methanol (S)-(7-bromo-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) 4.79 6.07 -5.09 1 3 0 39 341.245 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(7-chloro-1,3-benzodioxol-5-yl)-cyclohexyl-methanol (R)-(7-chloro-1,3-benzodioxol-5-…

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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) 3.91 5.14 -5.51 1 3 0 39 268.74 2 ↓

Analogs

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Popular Name: (S)-(7-chloro-1,3-benzodioxol-5-yl)-cyclohexyl-methanol (S)-(7-chloro-1,3-benzodioxol-5-…

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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) 3.91 5.28 -5.43 1 3 0 39 268.74 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(7-chloro-1,3-benzodioxol-5-yl)-[(1S,2R)-2-ethylcyclohexyl]methanol (S)-(7-chloro-1,3-benzodioxol-5-…

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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) 4.65 5.99 -5.37 1 3 0 39 296.794 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(7-chloro-1,3-benzodioxol-5-yl)-[(1S,2S)-2-ethylcyclohexyl]methanol (S)-(7-chloro-1,3-benzodioxol-5-…

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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) 4.65 6.04 -5.34 1 3 0 39 296.794 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(7-chloro-1,3-benzodioxol-5-yl)-[(1R,2R)-2-ethylcyclohexyl]methanol (S)-(7-chloro-1,3-benzodioxol-5-…

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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) 4.65 6.38 -5.2 1 3 0 39 296.794 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(7-chloro-1,3-benzodioxol-5-yl)-[(1R,2S)-2-ethylcyclohexyl]methanol (S)-(7-chloro-1,3-benzodioxol-5-…

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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) 4.65 5.97 -5.27 1 3 0 39 296.794 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-1,3-benzodioxol-5-yl-[(1S,2R)-2-ethylcyclohexyl]methanol (S)-1,3-benzodioxol-5-yl-[(1S,2R…

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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 5.5 -5.74 1 3 0 39 262.349 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-1,3-benzodioxol-5-yl-[(1S,2S)-2-ethylcyclohexyl]methanol (S)-1,3-benzodioxol-5-yl-[(1S,2S…

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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 5.5 -5.7 1 3 0 39 262.349 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-1,3-benzodioxol-5-yl-[(1R,2R)-2-ethylcyclohexyl]methanol (S)-1,3-benzodioxol-5-yl-[(1R,2R…

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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 5.86 -5.64 1 3 0 39 262.349 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-1,3-benzodioxol-5-yl-[(1R,2S)-2-ethylcyclohexyl]methanol (S)-1,3-benzodioxol-5-yl-[(1R,2S…

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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 5.46 -5.67 1 3 0 39 262.349 3 ↓

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
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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 = 2913 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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