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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,3aS,7aS)-1-[2-(2-bromo-4,5-dimethoxy-phenyl)acetyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxyl (2S,3aS,7aS)-1-[2-(2-bromo-4,5-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) 2.43 8.22 -47.49 0 6 -1 79 425.299 5 ↓

Analogs

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Popular Name: (2S,3aS,7aS)-1-[2-(2-methoxy-5-methyl-phenyl)acetyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic (2S,3aS,7aS)-1-[2-(2-methoxy-5-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) 2.48 8.59 -53 0 5 -1 70 330.404 4 ↓

Analogs

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Popular Name: (2S,3aS,7aS)-1-[2-(p-tolyl)acetyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic (2S,3aS,7aS)-1-[2-(p-tolyl)acety…

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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) 2.49 9.25 -49.56 0 4 -1 60 300.378 3 ↓

Analogs

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Popular Name: (2S,3aS,7aS)-1-[2-(5-chloro-2-methoxy-phenyl)acetyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic (2S,3aS,7aS)-1-[2-(5-chloro-2-me…

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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) 2.71 8.43 -50.93 0 5 -1 70 350.822 4 ↓

Analogs

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Popular Name: (2S,3aS,7aS)-1-[2-(2,3,4,5,6-pentafluorophenyl)acetyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxyli (2S,3aS,7aS)-1-[2-(2,3,4,5,6-pen…

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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) 2.58 8.82 -43.14 0 4 -1 60 376.301 3 ↓

Analogs

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Popular Name: methyl 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) 3.76 8.74 -15.22 0 6 0 65 361.438 6 ↓

Analogs

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Popular Name: methyl 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) 3.76 8.93 -15.97 0 6 0 65 361.438 6 ↓

Analogs

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Popular Name: methyl 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) 3.76 8.75 -17.34 0 6 0 65 361.438 6 ↓

Analogs

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Popular Name: methyl 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) 3.76 8.86 -15.12 0 6 0 65 361.438 6 ↓

Parameters Provided:

ring.id = 148219
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 = 148219 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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