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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: (1S)-2-ethyl-3-oxo-N-[[(2S)-tetrahydrofuran-2-yl]methyl]-1,4-dihydroisoquinoline-1-carboxamide (1S)-2-ethyl-3-oxo-N-[[(2S)-tetr…

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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) 1.09 5.45 -12.13 1 5 0 59 302.374 4 ↓

Analogs

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Popular Name: (1R)-2-ethyl-3-oxo-N-[[(2S)-tetrahydrofuran-2-yl]methyl]-1,4-dihydroisoquinoline-1-carboxamide (1R)-2-ethyl-3-oxo-N-[[(2S)-tetr…

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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) 1.09 5.72 -12.93 1 5 0 59 302.374 4 ↓

Analogs

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Popular Name: (1S)-2-ethyl-3-oxo-N-[[(2R)-tetrahydrofuran-2-yl]methyl]-1,4-dihydroisoquinoline-1-carboxamide (1S)-2-ethyl-3-oxo-N-[[(2R)-tetr…

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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) 1.09 5.47 -12.15 1 5 0 59 302.374 4 ↓

Analogs

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Popular Name: (1R)-2-ethyl-3-oxo-N-[[(2R)-tetrahydrofuran-2-yl]methyl]-1,4-dihydroisoquinoline-1-carboxamide (1R)-2-ethyl-3-oxo-N-[[(2R)-tetr…

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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) 1.09 5.75 -13.37 1 5 0 59 302.374 4 ↓

Analogs

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Popular Name: (1S)-3-oxo-2-propyl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]-1,4-dihydroisoquinoline-1-carboxamide (1S)-3-oxo-2-propyl-N-[[(2S)-tet…

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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) 1.60 6.21 -12.09 1 5 0 59 316.401 5 ↓

Analogs

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Popular Name: (1R)-3-oxo-2-propyl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]-1,4-dihydroisoquinoline-1-carboxamide (1R)-3-oxo-2-propyl-N-[[(2S)-tet…

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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) 1.60 6.46 -12.88 1 5 0 59 316.401 5 ↓

Analogs

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Popular Name: (1S)-3-oxo-2-propyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]-1,4-dihydroisoquinoline-1-carboxamide (1S)-3-oxo-2-propyl-N-[[(2R)-tet…

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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) 1.60 6.23 -12.09 1 5 0 59 316.401 5 ↓

Analogs

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Popular Name: (1R)-3-oxo-2-propyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]-1,4-dihydroisoquinoline-1-carboxamide (1R)-3-oxo-2-propyl-N-[[(2R)-tet…

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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) 1.60 6.49 -13.33 1 5 0 59 316.401 5 ↓

Analogs

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Popular Name: (1S)-2-isopropyl-3-oxo-N-[[(2S)-tetrahydrofuran-2-yl]methyl]-1,4-dihydroisoquinoline-1-carboxamide (1S)-2-isopropyl-3-oxo-N-[[(2S)-…

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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) 1.39 5.99 -10.7 1 5 0 59 316.401 4 ↓

Analogs

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Popular Name: (1R)-2-isopropyl-3-oxo-N-[[(2S)-tetrahydrofuran-2-yl]methyl]-1,4-dihydroisoquinoline-1-carboxamide (1R)-2-isopropyl-3-oxo-N-[[(2S)-…

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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) 1.39 6.39 -11.9 1 5 0 59 316.401 4 ↓

Analogs

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Popular Name: (1S)-2-isopropyl-3-oxo-N-[[(2R)-tetrahydrofuran-2-yl]methyl]-1,4-dihydroisoquinoline-1-carboxamide (1S)-2-isopropyl-3-oxo-N-[[(2R)-…

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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) 1.39 6 -10.75 1 5 0 59 316.401 4 ↓

Analogs

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Popular Name: (1R)-2-isopropyl-3-oxo-N-[[(2R)-tetrahydrofuran-2-yl]methyl]-1,4-dihydroisoquinoline-1-carboxamide (1R)-2-isopropyl-3-oxo-N-[[(2R)-…

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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) 1.39 6.42 -12.3 1 5 0 59 316.401 4 ↓

Analogs

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Popular Name: (1S)-2-methyl-3-oxo-N-[[(2S)-tetrahydrofuran-2-yl]methyl]-1,4-dihydroisoquinoline-1-carboxamide (1S)-2-methyl-3-oxo-N-[[(2S)-tet…

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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) 0.72 4.52 -12.15 1 5 0 59 288.347 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-methyl-3-oxo-N-[[(2S)-tetrahydrofuran-2-yl]methyl]-1,4-dihydroisoquinoline-1-carboxamide (1R)-2-methyl-3-oxo-N-[[(2S)-tet…

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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) 0.72 4.78 -14.18 1 5 0 59 288.347 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2-methyl-3-oxo-N-[[(2R)-tetrahydrofuran-2-yl]methyl]-1,4-dihydroisoquinoline-1-carboxamide (1S)-2-methyl-3-oxo-N-[[(2R)-tet…

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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) 0.72 4.54 -12.44 1 5 0 59 288.347 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-methyl-3-oxo-N-[[(2R)-tetrahydrofuran-2-yl]methyl]-1,4-dihydroisoquinoline-1-carboxamide (1R)-2-methyl-3-oxo-N-[[(2R)-tet…

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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) 0.72 4.81 -13.98 1 5 0 59 288.347 3 ↓

Analogs

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Popular Name: (1S)-2-(2-methoxyethyl)-3-oxo-N-[[(2S)-tetrahydrofuran-2-yl]methyl]-1,4-dihydroisoquinoline-1-carbox (1S)-2-(2-methoxyethyl)-3-oxo-N-…

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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) 0.70 4.59 -11.29 1 6 0 68 332.4 6 ↓

Analogs

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Popular Name: (1R)-2-(2-methoxyethyl)-3-oxo-N-[[(2S)-tetrahydrofuran-2-yl]methyl]-1,4-dihydroisoquinoline-1-carbox (1R)-2-(2-methoxyethyl)-3-oxo-N-…

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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) 0.70 4.98 -16.21 1 6 0 68 332.4 6 ↓

Analogs

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Popular Name: (1S)-2-(2-methoxyethyl)-3-oxo-N-[[(2R)-tetrahydrofuran-2-yl]methyl]-1,4-dihydroisoquinoline-1-carbox (1S)-2-(2-methoxyethyl)-3-oxo-N-…

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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) 0.70 4.62 -11.67 1 6 0 68 332.4 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-(2-methoxyethyl)-3-oxo-N-[[(2R)-tetrahydrofuran-2-yl]methyl]-1,4-dihydroisoquinoline-1-carbox (1R)-2-(2-methoxyethyl)-3-oxo-N-…

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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) 0.70 5.02 -16.15 1 6 0 68 332.4 6 ↓

Parameters Provided:

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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 = 382100 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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