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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: (3aS,4R,6aS)-4-[5-[(3S,5R)-3,5-dimethyl-1-piperidyl]-5-oxo-pentyl]-1,3,3a,4,6,6a-hexahydrothieno[3,4 (3aS,4R,6aS)-4-[5-[(3S,5R)-3,5-d…

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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) 2.48 5.1 -13.26 2 5 0 61 339.505 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3aS,4R,6aS)-4-[5-[(3S,5S)-3,5-dimethyl-1-piperidyl]-5-oxo-pentyl]-1,3,3a,4,6,6a-hexahydrothieno[3,4 (3aS,4R,6aS)-4-[5-[(3S,5S)-3,5-d…

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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) 2.48 5.35 -13.53 2 5 0 61 339.505 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3aS,4R,6aS)-4-[5-[(3R,5R)-3,5-dimethyl-1-piperidyl]-5-oxo-pentyl]-1,3,3a,4,6,6a-hexahydrothieno[3,4 (3aS,4R,6aS)-4-[5-[(3R,5R)-3,5-d…

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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) 2.48 5.34 -13.07 2 5 0 61 339.505 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3aS,4R,6aS)-4-[5-(4-methyl-1-piperidyl)-5-oxo-pentyl]-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol- (3aS,4R,6aS)-4-[5-(4-methyl-1-pi…

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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) 2.01 4.53 -13.56 2 5 0 61 325.478 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3aS,4S,6aS)-4-[5-(4-methyl-1-piperidyl)-5-oxo-pentyl]-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol- (3aS,4S,6aS)-4-[5-(4-methyl-1-pi…

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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) 2.01 4.54 -13.71 2 5 0 61 325.478 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3aR,4R,6aS)-4-[5-(4-methyl-1-piperidyl)-5-oxo-pentyl]-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol- (3aR,4R,6aS)-4-[5-(4-methyl-1-pi…

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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) 2.01 5.74 -18.4 2 5 0 61 325.478 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3aR,4S,6aS)-4-[5-(4-methyl-1-piperidyl)-5-oxo-pentyl]-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol- (3aR,4S,6aS)-4-[5-(4-methyl-1-pi…

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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) 2.01 5.28 -14.39 2 5 0 61 325.478 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3aS,4R,6aS)-4-[5-[(2R)-2-methyl-1-piperidyl]-5-oxo-pentyl]-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imid (3aS,4R,6aS)-4-[5-[(2R)-2-methyl…

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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) 2.10 4.55 -12.5 2 5 0 61 325.478 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3aS,4R,6aS)-4-[5-[(2S)-2-methyl-1-piperidyl]-5-oxo-pentyl]-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imid (3aS,4R,6aS)-4-[5-[(2S)-2-methyl…

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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) 2.10 4.55 -12.49 2 5 0 61 325.478 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3aS,4S,6aS)-4-[5-[(2R)-2-methyl-1-piperidyl]-5-oxo-pentyl]-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imid (3aS,4S,6aS)-4-[5-[(2R)-2-methyl…

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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) 2.10 4.56 -12.66 2 5 0 61 325.478 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3aS,4S,6aS)-4-[5-[(2S)-2-methyl-1-piperidyl]-5-oxo-pentyl]-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imid (3aS,4S,6aS)-4-[5-[(2S)-2-methyl…

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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) 2.10 4.55 -12.62 2 5 0 61 325.478 5 ↓

Parameters Provided:

ring.id = 90413
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 = 90413 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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