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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: (3R)-3-[4-[(2-methoxyphenyl)methyl]-1-piperidyl]tetrahydrofuran-2-one (3R)-3-[4-[(2-methoxyphenyl)meth…

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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) 1.76 9.24 -41.2 1 4 1 40 290.383 4 ↓
Mid Mid (pH 6-8) 1.76 7.04 -9.97 0 4 0 39 289.375 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[4-[(2-methoxyphenyl)methyl]-1-piperidyl]tetrahydrofuran-2-one (3S)-3-[4-[(2-methoxyphenyl)meth…

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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) 1.76 9.4 -40.81 1 4 1 40 290.383 4 ↓
Mid Mid (pH 6-8) 1.76 7.2 -10.38 0 4 0 39 289.375 4 ↓

Analogs

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Popular Name: (3S,5R)-3-[4-[(2-methoxyphenyl)methyl]-1-piperidyl]-5-methyl-tetrahydrofuran-2-one (3S,5R)-3-[4-[(2-methoxyphenyl)m…

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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) 1.87 10.01 -40.82 1 4 1 40 304.41 4 ↓
Mid Mid (pH 6-8) 1.87 7.63 -11.04 0 4 0 39 303.402 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,5S)-3-[4-[(2-methoxyphenyl)methyl]-1-piperidyl]-5-methyl-tetrahydrofuran-2-one (3S,5S)-3-[4-[(2-methoxyphenyl)m…

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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) 1.87 9.92 -41.01 1 4 1 40 304.41 4 ↓
Mid Mid (pH 6-8) 1.87 7.53 -11.26 0 4 0 39 303.402 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,5R)-3-[4-[(2-methoxyphenyl)methyl]-1-piperidyl]-5-methyl-tetrahydrofuran-2-one (3R,5R)-3-[4-[(2-methoxyphenyl)m…

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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) 1.87 10.09 -40 1 4 1 40 304.41 4 ↓
Mid Mid (pH 6-8) 1.87 7.76 -9.73 0 4 0 39 303.402 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,5S)-3-[4-[(2-methoxyphenyl)methyl]-1-piperidyl]-5-methyl-tetrahydrofuran-2-one (3R,5S)-3-[4-[(2-methoxyphenyl)m…

Find On: PubMed — Wikipedia — Google

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) 1.87 10.01 -41.25 1 4 1 40 304.41 4 ↓
Mid Mid (pH 6-8) 1.87 7.81 -9.72 0 4 0 39 303.402 4 ↓

Parameters Provided:

ring.id = 355217
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 = 355217 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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