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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: (2S)-2-(1,3-benzodioxol-5-yl)-2-methyl-3-(2-thienyl)propanal (2S)-2-(1,3-benzodioxol-5-yl)-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) 3.95 1.24 -7.85 0 3 0 36 274.341 4 ↓

Analogs

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Popular Name: (2R)-2-(1,3-benzodioxol-5-yl)-2-methyl-3-(2-thienyl)propanal (2R)-2-(1,3-benzodioxol-5-yl)-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) 3.95 1.34 -8.57 0 3 0 36 274.341 4 ↓

Analogs

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Popular Name: (2R)-3-(1,3-benzodioxol-5-yl)-2-(2-thienyl)propanal (2R)-3-(1,3-benzodioxol-5-yl)-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) 3.32 0.66 -10.06 0 3 0 36 260.314 4 ↓

Analogs

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Popular Name: (2S)-3-(1,3-benzodioxol-5-yl)-2-(2-thienyl)propanal (2S)-3-(1,3-benzodioxol-5-yl)-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) 3.32 0.66 -10.04 0 3 0 36 260.314 4 ↓

Analogs

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Popular Name: (2S)-2-(1,3-benzodioxol-5-yl)-3-(2-thienyl)propanal (2S)-2-(1,3-benzodioxol-5-yl)-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) 3.79 0.68 -12.29 0 3 0 36 260.314 4 ↓

Analogs

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Popular Name: (2R)-2-(1,3-benzodioxol-5-yl)-3-(2-thienyl)propanal (2R)-2-(1,3-benzodioxol-5-yl)-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) 3.79 0.7 -11.12 0 3 0 36 260.314 4 ↓

Analogs

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Popular Name: (1S)-1-(1,3-benzodioxol-5-yl)-N-methyl-2-(2-thienyl)ethanamine (1S)-1-(1,3-benzodioxol-5-yl)-N-…

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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) 3.27 6.54 -44.92 2 3 1 35 262.354 4 ↓

Analogs

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Popular Name: (1R)-1-(1,3-benzodioxol-5-yl)-N-methyl-2-(2-thienyl)ethanamine (1R)-1-(1,3-benzodioxol-5-yl)-N-…

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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) 3.27 6.57 -41.91 2 3 1 35 262.354 4 ↓

Analogs

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Popular Name: (1S)-1-(1,3-benzodioxol-5-yl)-N-ethyl-2-(2-thienyl)ethanamine (1S)-1-(1,3-benzodioxol-5-yl)-N-…

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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) 3.65 7.37 -42.98 2 3 1 35 276.381 5 ↓

Analogs

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Popular Name: (1R)-1-(1,3-benzodioxol-5-yl)-N-ethyl-2-(2-thienyl)ethanamine (1R)-1-(1,3-benzodioxol-5-yl)-N-…

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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) 3.65 7.4 -40.14 2 3 1 35 276.381 5 ↓

Analogs

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Popular Name: N-[(1S)-1-(1,3-benzodioxol-5-yl)-2-(2-thienyl)ethyl]propan-1-amine N-[(1S)-1-(1,3-benzodioxol-5-yl)…

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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) 4.15 8.12 -43.86 2 3 1 35 290.408 6 ↓

Analogs

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Popular Name: N-[(1R)-1-(1,3-benzodioxol-5-yl)-2-(2-thienyl)ethyl]propan-1-amine N-[(1R)-1-(1,3-benzodioxol-5-yl)…

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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) 4.15 8.17 -40.79 2 3 1 35 290.408 6 ↓

Parameters Provided:

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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 = 41857 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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