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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-[[1-[(2R)-2-hydroxy-2-phenyl-ethyl]-4-piperidyl]methyl-methyl-amino]tetrahydrofuran-2-one (3R)-3-[[1-[(2R)-2-hydroxy-2-phe…

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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) 0.79 9.01 -103.69 3 5 2 55 334.46 6 ↓
Hi High (pH 8-9.5) 0.79 4.67 -10.86 1 5 0 53 332.444 6 ↓
Mid Mid (pH 6-8) 0.79 6.94 -41.24 2 5 1 54 333.452 6 ↓

Analogs

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Popular Name: (3R)-3-[[1-[(2S)-2-hydroxy-2-phenyl-ethyl]-4-piperidyl]methyl-methyl-amino]tetrahydrofuran-2-one (3R)-3-[[1-[(2S)-2-hydroxy-2-phe…

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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) 0.79 8.94 -103.65 3 5 2 55 334.46 6 ↓
Hi High (pH 8-9.5) 0.79 4.65 -11.17 1 5 0 53 332.444 6 ↓
Mid Mid (pH 6-8) 0.79 6.97 -40.39 2 5 1 54 333.452 6 ↓

Analogs

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Popular Name: (3S,5R)-3-[[1-[(2R)-2-hydroxy-2-phenyl-ethyl]-4-piperidyl]methyl-methyl-amino]-5-methyl-tetrahydrofu (3S,5R)-3-[[1-[(2R)-2-hydroxy-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) 0.90 9.76 -109.54 3 5 2 55 348.487 6 ↓
Hi High (pH 8-9.5) 0.90 5.44 -10.16 1 5 0 53 346.471 6 ↓
Mid Mid (pH 6-8) 0.90 7.66 -44.59 2 5 1 54 347.479 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,5S)-3-[[1-[(2R)-2-hydroxy-2-phenyl-ethyl]-4-piperidyl]methyl-methyl-amino]-5-methyl-tetrahydrofu (3S,5S)-3-[[1-[(2R)-2-hydroxy-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) 0.90 9.7 -104.56 3 5 2 55 348.487 6 ↓
Hi High (pH 8-9.5) 0.90 5.41 -11.34 1 5 0 53 346.471 6 ↓
Mid Mid (pH 6-8) 0.90 7.66 -41.66 2 5 1 54 347.479 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,5R)-3-[[1-[(2R)-2-hydroxy-2-phenyl-ethyl]-4-piperidyl]methyl-methyl-amino]-5-methyl-tetrahydrofu (3R,5R)-3-[[1-[(2R)-2-hydroxy-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) 0.90 9.72 -106.23 3 5 2 55 348.487 6 ↓
Hi High (pH 8-9.5) 0.90 5.17 -10.11 1 5 0 53 346.471 6 ↓
Mid Mid (pH 6-8) 0.90 7.44 -44.82 2 5 1 54 347.479 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,5S)-3-[[1-[(2R)-2-hydroxy-2-phenyl-ethyl]-4-piperidyl]methyl-methyl-amino]-5-methyl-tetrahydrofu (3R,5S)-3-[[1-[(2R)-2-hydroxy-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) 0.90 9.79 -109.44 3 5 2 55 348.487 6 ↓
Hi High (pH 8-9.5) 0.90 5.37 -9.81 1 5 0 53 346.471 6 ↓
Mid Mid (pH 6-8) 0.90 7.62 -44.55 2 5 1 54 347.479 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[[1-[(2S)-2-hydroxy-2-phenyl-ethyl]-4-piperidyl]methylamino]tetrahydrofuran-2-one (3R)-3-[[1-[(2S)-2-hydroxy-2-phe…

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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) 0.55 5.97 -43.47 3 5 1 63 319.425 6 ↓
Mid Mid (pH 6-8) 0.55 7.04 -110.56 4 5 2 68 320.433 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[[1-[(2R)-2-hydroxy-2-phenyl-ethyl]-4-piperidyl]methylamino]tetrahydrofuran-2-one (3R)-3-[[1-[(2R)-2-hydroxy-2-phe…

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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) 0.55 6.03 -43.21 3 5 1 63 319.425 6 ↓
Mid Mid (pH 6-8) 0.55 7.1 -109.9 4 5 2 68 320.433 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[[1-[(2S)-2-hydroxy-2-phenyl-ethyl]-4-piperidyl]methylamino]tetrahydrofuran-2-one (3S)-3-[[1-[(2S)-2-hydroxy-2-phe…

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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) 0.55 5.97 -43.37 3 5 1 63 319.425 6 ↓
Mid Mid (pH 6-8) 0.55 7.03 -108.52 4 5 2 68 320.433 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[[1-[(2R)-2-hydroxy-2-phenyl-ethyl]-4-piperidyl]methylamino]tetrahydrofuran-2-one (3S)-3-[[1-[(2R)-2-hydroxy-2-phe…

Find On: PubMed — Wikipedia — Google

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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) 0.55 6.03 -43.82 3 5 1 63 319.425 6 ↓
Mid Mid (pH 6-8) 0.55 7.09 -108.36 4 5 2 68 320.433 6 ↓

Parameters Provided:

ring.id = 338392
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 = 338392 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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