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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: (4R)-N-(2-ethoxyphenyl)-2-(2-methoxyethyl)-1-oxo-spiro[4H-isoquinoline-3,1'-cyclohexane]-4-carboxami (4R)-N-(2-ethoxyphenyl)-2-(2-met…

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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) 3.84 11.2 -14.61 1 6 0 68 436.552 7 ↓

Analogs

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Popular Name: (4S)-N-(2-ethoxyphenyl)-2-(2-methoxyethyl)-1-oxo-spiro[4H-isoquinoline-3,1'-cyclohexane]-4-carboxami (4S)-N-(2-ethoxyphenyl)-2-(2-met…

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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) 3.84 10.9 -18.49 1 6 0 68 436.552 7 ↓

Analogs

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Popular Name: (4R)-2-(2-methoxyethyl)-N-(2-methoxy-5-methyl-phenyl)-1-oxo-spiro[4H-isoquinoline-3,1'-cyclohexane]- (4R)-2-(2-methoxyethyl)-N-(2-met…

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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) 3.88 10.81 -14.98 1 6 0 68 436.552 6 ↓

Analogs

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Popular Name: (4S)-2-(2-methoxyethyl)-N-(2-methoxy-5-methyl-phenyl)-1-oxo-spiro[4H-isoquinoline-3,1'-cyclohexane]- (4S)-2-(2-methoxyethyl)-N-(2-met…

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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) 3.88 10.72 -18.8 1 6 0 68 436.552 6 ↓

Analogs

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Popular Name: (4R)-N-(2-ethylphenyl)-2-(2-methoxyethyl)-1-oxo-spiro[4H-isoquinoline-3,1'-cyclohexane]-4-carboxamid (4R)-N-(2-ethylphenyl)-2-(2-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) 4.32 12.55 -15.54 1 5 0 59 420.553 6 ↓

Analogs

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Popular Name: (4S)-N-(2-ethylphenyl)-2-(2-methoxyethyl)-1-oxo-spiro[4H-isoquinoline-3,1'-cyclohexane]-4-carboxamid (4S)-N-(2-ethylphenyl)-2-(2-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) 4.32 12.2 -19.78 1 5 0 59 420.553 6 ↓

Analogs

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Popular Name: (4R)-2-(2-methoxyethyl)-N-(o-tolyl)-1-oxo-spiro[4H-isoquinoline-3,1'-cyclohexane]-4-carboxamide (4R)-2-(2-methoxyethyl)-N-(o-tol…

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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) 3.85 11.75 -15.71 1 5 0 59 406.526 5 ↓

Analogs

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Popular Name: (4S)-2-(2-methoxyethyl)-N-(o-tolyl)-1-oxo-spiro[4H-isoquinoline-3,1'-cyclohexane]-4-carboxamide (4S)-2-(2-methoxyethyl)-N-(o-tol…

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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) 3.85 11.53 -20.54 1 5 0 59 406.526 5 ↓

Analogs

20715537
20715537
20715542
20715542

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Popular Name: (4S)-N-(4-carbamoylphenyl)-2-(2-methoxyethyl)-1-oxo-spiro[4H-isoquinoline-3,1'-cyclohexane]-4-carbox (4S)-N-(4-carbamoylphenyl)-2-(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) 2.27 7.98 -25.97 3 7 0 102 435.524 6 ↓

Analogs

20715537
20715537
20715542
20715542

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Popular Name: (4R)-N-(4-carbamoylphenyl)-2-(2-methoxyethyl)-1-oxo-spiro[4H-isoquinoline-3,1'-cyclohexane]-4-carbox (4R)-N-(4-carbamoylphenyl)-2-(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) 2.27 7.2 -17.95 3 7 0 102 435.524 6 ↓

Analogs

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Popular Name: (4S)-N-(4-carbamoylphenyl)-2-isobutyl-1-oxo-spiro[4H-isoquinoline-3,1'-cyclohexane]-4-carboxamide (4S)-N-(4-carbamoylphenyl)-2-iso…

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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) 3.41 8.79 -23.28 3 6 0 93 433.552 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-(4-carbamoylphenyl)-2-isobutyl-1-oxo-spiro[4H-isoquinoline-3,1'-cyclohexane]-4-carboxamide (4R)-N-(4-carbamoylphenyl)-2-iso…

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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) 3.41 8.78 -16.57 3 6 0 93 433.552 5 ↓

Parameters Provided:

ring.id = 582948
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 = 582948 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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