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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,4R)-2-[(2R)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]tetrahydropyran-4-ol (2S,4R)-2-[(2R)-5-ethoxy-2-methy…

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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) 2.39 3.89 -8.45 1 4 0 48 278.348 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-2-[(2R)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]tetrahydropyran-4-ol (2R,4R)-2-[(2R)-5-ethoxy-2-methy…

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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) 2.39 4.01 -8.37 1 4 0 48 278.348 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-2-[(2R)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]tetrahydropyran-4-ol (2S,4S)-2-[(2R)-5-ethoxy-2-methy…

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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) 2.39 4.01 -8.32 1 4 0 48 278.348 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-2-[(2R)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]tetrahydropyran-4-ol (2R,4S)-2-[(2R)-5-ethoxy-2-methy…

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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) 2.39 3.89 -8.39 1 4 0 48 278.348 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-2-[(2R)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]tetrahydropyran-4-amine (2S,4R)-2-[(2R)-5-ethoxy-2-methy…

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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 4.47 -45.81 3 4 1 55 278.372 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-2-[(2R)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]tetrahydropyran-4-amine (2R,4R)-2-[(2R)-5-ethoxy-2-methy…

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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 4.64 -46.06 3 4 1 55 278.372 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-2-[(2R)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]tetrahydropyran-4-amine (2S,4S)-2-[(2R)-5-ethoxy-2-methy…

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Activity (Go SEA)

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 4.65 -45.99 3 4 1 55 278.372 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-2-[(2R)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]tetrahydropyran-4-amine (2R,4S)-2-[(2R)-5-ethoxy-2-methy…

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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 4.47 -46.16 3 4 1 55 278.372 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-2-[(2R)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]-N-methyl-tetrahydropyran-4-amine (2S,4R)-2-[(2R)-5-ethoxy-2-methy…

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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) 2.80 6.18 -40.62 2 4 1 44 292.399 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-2-[(2R)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]-N-methyl-tetrahydropyran-4-amine (2R,4R)-2-[(2R)-5-ethoxy-2-methy…

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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) 2.80 6.36 -40.73 2 4 1 44 292.399 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-2-[(2R)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]-N-methyl-tetrahydropyran-4-amine (2S,4S)-2-[(2R)-5-ethoxy-2-methy…

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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) 2.80 6.36 -40.59 2 4 1 44 292.399 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-2-[(2R)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]-N-methyl-tetrahydropyran-4-amine (2R,4S)-2-[(2R)-5-ethoxy-2-methy…

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Activity (Go SEA)

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) 2.80 6.19 -40.93 2 4 1 44 292.399 4 ↓

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 = 539515 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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