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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: (2S,3S)-2-(2,3-dihydrobenzofuran-5-yl)-1-methyl-piperidin-3-amine (2S,3S)-2-(2,3-dihydrobenzofuran…

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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) 1.22 3.96 -38.82 3 3 1 40 233.335 1 ↓
Lo Low (pH 4.5-6) 1.22 5.75 -115.15 4 3 2 41 234.343 1 ↓
Lo Low (pH 4.5-6) 1.22 5.39 -32.51 3 3 1 40 233.335 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R)-2-(2,3-dihydrobenzofuran-5-yl)-1-methyl-piperidin-3-amine (2S,3R)-2-(2,3-dihydrobenzofuran…

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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) 1.22 3.26 -43.25 3 3 1 40 233.335 1 ↓
Lo Low (pH 4.5-6) 1.22 5.29 -113.43 4 3 2 41 234.343 1 ↓
Lo Low (pH 4.5-6) 1.22 4.99 -36.46 3 3 1 40 233.335 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S)-2-(2,3-dihydrobenzofuran-5-yl)-1-ethyl-piperidin-3-amine (2S,3S)-2-(2,3-dihydrobenzofuran…

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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) 1.59 4.72 -39.07 3 3 1 40 247.362 2 ↓
Lo Low (pH 4.5-6) 1.59 6.39 -114.21 4 3 2 41 248.37 2 ↓
Lo Low (pH 4.5-6) 1.59 6.03 -30.98 3 3 1 40 247.362 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R)-2-(2,3-dihydrobenzofuran-5-yl)-1-ethyl-piperidin-3-amine (2S,3R)-2-(2,3-dihydrobenzofuran…

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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) 1.59 4.05 -43.39 3 3 1 40 247.362 2 ↓
Lo Low (pH 4.5-6) 1.59 5.95 -113.16 4 3 2 41 248.37 2 ↓
Lo Low (pH 4.5-6) 1.59 5.64 -34.64 3 3 1 40 247.362 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S)-2-(2,3-dihydrobenzofuran-5-yl)-1-propyl-piperidin-3-amine (2S,3S)-2-(2,3-dihydrobenzofuran…

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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) 2.09 5.46 -39.33 3 3 1 40 261.389 3 ↓
Lo Low (pH 4.5-6) 2.09 7.13 -116.07 4 3 2 41 262.397 3 ↓
Lo Low (pH 4.5-6) 2.09 6.77 -31.4 3 3 1 40 261.389 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R)-2-(2,3-dihydrobenzofuran-5-yl)-1-propyl-piperidin-3-amine (2S,3R)-2-(2,3-dihydrobenzofuran…

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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) 2.09 4.79 -43.43 3 3 1 40 261.389 3 ↓
Lo Low (pH 4.5-6) 2.09 6.69 -114.8 4 3 2 41 262.397 3 ↓
Lo Low (pH 4.5-6) 2.09 6.38 -35.24 3 3 1 40 261.389 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S)-2-(2,3-dihydrobenzofuran-5-yl)-1-isopropyl-piperidin-3-amine (2S,3S)-2-(2,3-dihydrobenzofuran…

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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) 1.89 5.07 -39.21 3 3 1 40 261.389 2 ↓
Lo Low (pH 4.5-6) 1.89 6.65 -113.22 4 3 2 41 262.397 2 ↓
Lo Low (pH 4.5-6) 1.89 6.28 -29.56 3 3 1 40 261.389 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R)-2-(2,3-dihydrobenzofuran-5-yl)-1-isopropyl-piperidin-3-amine (2S,3R)-2-(2,3-dihydrobenzofuran…

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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) 1.89 4.24 -43.07 3 3 1 40 261.389 2 ↓
Lo Low (pH 4.5-6) 1.89 6.21 -111.53 4 3 2 41 262.397 2 ↓
Lo Low (pH 4.5-6) 1.89 5.91 -33.23 3 3 1 40 261.389 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S)-1-tert-butyl-2-(2,3-dihydrobenzofuran-5-yl)piperidin-3-amine (2S,3S)-1-tert-butyl-2-(2,3-dihy…

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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) 2.40 6.21 -28.86 3 3 1 40 275.416 2 ↓
Lo Low (pH 4.5-6) 2.40 6.57 -112.68 4 3 2 41 276.424 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R)-1-tert-butyl-2-(2,3-dihydrobenzofuran-5-yl)piperidin-3-amine (2S,3R)-1-tert-butyl-2-(2,3-dihy…

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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) 2.40 5.65 -32.43 3 3 1 40 275.416 2 ↓
Lo Low (pH 4.5-6) 2.40 5.93 -110.81 4 3 2 41 276.424 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S)-2-(2,3-dihydrobenzofuran-5-yl)-1-isobutyl-piperidin-3-amine (2S,3S)-2-(2,3-dihydrobenzofuran…

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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) 2.34 6.42 -39.93 3 3 1 40 275.416 3 ↓
Lo Low (pH 4.5-6) 2.34 7.46 -31.03 3 3 1 40 275.416 3 ↓
Lo Low (pH 4.5-6) 2.34 7.82 -115.73 4 3 2 41 276.424 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R)-2-(2,3-dihydrobenzofuran-5-yl)-1-isobutyl-piperidin-3-amine (2S,3R)-2-(2,3-dihydrobenzofuran…

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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) 2.34 5.76 -43.62 3 3 1 40 275.416 3 ↓
Lo Low (pH 4.5-6) 2.34 7.06 -34.61 3 3 1 40 275.416 3 ↓
Lo Low (pH 4.5-6) 2.34 7.37 -115.23 4 3 2 41 276.424 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S)-2-(2,3-dihydrobenzofuran-5-yl)-1-(2-methoxyethyl)piperidin-3-amine (2S,3S)-2-(2,3-dihydrobenzofuran…

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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) 1.20 3.81 -38.08 3 4 1 49 277.388 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R)-2-(2,3-dihydrobenzofuran-5-yl)-1-(2-methoxyethyl)piperidin-3-amine (2S,3R)-2-(2,3-dihydrobenzofuran…

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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) 1.20 3.14 -44.94 3 4 1 49 277.388 4 ↓

Parameters Provided:

ring.id = 532127
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 = 532127 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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