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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: azepan-1-yl-[(3S)-3-methylpyrrolidin-3-yl]methanone azepan-1-yl-[(3S)-3-methylpyrrol…

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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) 1.61 4.84 -41.46 2 3 1 37 211.329 1 ↓

Analogs

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Popular Name: azepan-1-yl-[(3R)-3-methylpyrrolidin-3-yl]methanone azepan-1-yl-[(3R)-3-methylpyrrol…

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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) 1.61 4.91 -40.83 2 3 1 37 211.329 1 ↓

Analogs

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Popular Name: azepan-1-yl-[(3S)-3-ethylpyrrolidin-3-yl]methanone azepan-1-yl-[(3S)-3-ethylpyrroli…

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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) 1.94 5.16 -47.2 2 3 1 37 225.356 2 ↓

Analogs

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Popular Name: azepan-1-yl-[(3R)-3-ethylpyrrolidin-3-yl]methanone azepan-1-yl-[(3R)-3-ethylpyrroli…

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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) 1.94 5.34 -44.53 2 3 1 37 225.356 2 ↓

Analogs

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Popular Name: azepan-1-yl-[(3S)-3-propylpyrrolidin-3-yl]methanone azepan-1-yl-[(3S)-3-propylpyrrol…

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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) 2.50 5.89 -47.51 2 3 1 37 239.383 3 ↓

Analogs

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Popular Name: azepan-1-yl-[(3R)-3-propylpyrrolidin-3-yl]methanone azepan-1-yl-[(3R)-3-propylpyrrol…

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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) 2.50 6.09 -45.31 2 3 1 37 239.383 3 ↓

Analogs

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Popular Name: [(2R)-2-methylazepan-1-yl]-[(3R)-3-methylpyrrolidin-3-yl]methanone [(2R)-2-methylazepan-1-yl]-[(3R)…

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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) 1.94 5.04 -40.89 2 3 1 37 225.356 1 ↓

Analogs

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Popular Name: [(2S)-2-methylazepan-1-yl]-[(3R)-3-methylpyrrolidin-3-yl]methanone [(2S)-2-methylazepan-1-yl]-[(3R)…

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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) 1.94 4.97 -40.98 2 3 1 37 225.356 1 ↓

Analogs

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Popular Name: [(2R)-2-methylazepan-1-yl]-[(3S)-3-methylpyrrolidin-3-yl]methanone [(2R)-2-methylazepan-1-yl]-[(3S)…

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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) 1.94 5.15 -40.93 2 3 1 37 225.356 1 ↓

Analogs

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Popular Name: [(2S)-2-methylazepan-1-yl]-[(3S)-3-methylpyrrolidin-3-yl]methanone [(2S)-2-methylazepan-1-yl]-[(3S)…

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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) 1.94 5 -39.28 2 3 1 37 225.356 1 ↓

Analogs

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Popular Name: [(2R)-2-methylazepan-1-yl]-[(3S,4R)-4-methylpyrrolidin-3-yl]methanone [(2R)-2-methylazepan-1-yl]-[(3S,…

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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) 2.17 5.8 -42.35 2 3 1 37 225.356 1 ↓

Analogs

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Popular Name: [(2S)-2-methylazepan-1-yl]-[(3S,4R)-4-methylpyrrolidin-3-yl]methanone [(2S)-2-methylazepan-1-yl]-[(3S,…

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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) 2.17 5.38 -41.49 2 3 1 37 225.356 1 ↓

Analogs

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Popular Name: [(2R)-2-methylazepan-1-yl]-[(3R,4R)-4-methylpyrrolidin-3-yl]methanone [(2R)-2-methylazepan-1-yl]-[(3R,…

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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) 2.17 5.46 -44.43 2 3 1 37 225.356 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-2-methylazepan-1-yl]-[(3R,4R)-4-methylpyrrolidin-3-yl]methanone [(2S)-2-methylazepan-1-yl]-[(3R,…

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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) 2.17 5.47 -39.38 2 3 1 37 225.356 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-2-methylazepan-1-yl]-[(3R)-pyrrolidin-3-yl]methanone [(2R)-2-methylazepan-1-yl]-[(3R)…

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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) 1.69 4.79 -41.05 2 3 1 37 211.329 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-2-methylazepan-1-yl]-[(3R)-pyrrolidin-3-yl]methanone [(2S)-2-methylazepan-1-yl]-[(3R)…

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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) 1.69 4.95 -39.02 2 3 1 37 211.329 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-2-methylazepan-1-yl]-[(3S)-pyrrolidin-3-yl]methanone [(2R)-2-methylazepan-1-yl]-[(3S)…

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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) 1.69 5.08 -42.07 2 3 1 37 211.329 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-2-methylazepan-1-yl]-[(3S)-pyrrolidin-3-yl]methanone [(2S)-2-methylazepan-1-yl]-[(3S)…

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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) 1.69 4.94 -40.87 2 3 1 37 211.329 1 ↓

Parameters Provided:

ring.id = 299729
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 = 299729 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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