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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: N-(2-isopropyl-3,4-dihydro-1H-isoquinolin-7-yl)cyclopropanecarboxamide N-(2-isopropyl-3,4-dihydro-1H-is…

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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 0.43 -41.07 2 3 1 34 259.373 3 ↓

Analogs

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Popular Name: N-(1,2,3,4-tetrahydroisoquinolin-7-yl)cyclopropanecarboxamide N-(1,2,3,4-tetrahydroisoquinolin…

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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) 1.51 3.69 -9.05 2 3 0 41 216.284 2 ↓
Mid Mid (pH 6-8) 1.51 5.06 -49.69 3 3 1 46 217.292 2 ↓

Analogs

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Popular Name: (1S,2R)-2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)cyclopropanecarboxamide (1S,2R)-2-methyl-N-(1,2,3,4-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) 2.12 4.42 -8.19 2 3 0 41 230.311 2 ↓
Mid Mid (pH 6-8) 2.12 5.79 -48.59 3 3 1 46 231.319 2 ↓

Analogs

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Popular Name: (1S,2S)-2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)cyclopropanecarboxamide (1S,2S)-2-methyl-N-(1,2,3,4-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) 2.12 4.37 -8.83 2 3 0 41 230.311 2 ↓
Mid Mid (pH 6-8) 2.12 5.74 -49.67 3 3 1 46 231.319 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)cyclopropanecarboxamide (1R,2R)-2-methyl-N-(1,2,3,4-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) 2.12 4.37 -8.87 2 3 0 41 230.311 2 ↓
Mid Mid (pH 6-8) 2.12 5.74 -49.66 3 3 1 46 231.319 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)cyclopropanecarboxamide (1R,2S)-2-methyl-N-(1,2,3,4-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) 2.12 4.42 -8.25 2 3 0 41 230.311 2 ↓
Mid Mid (pH 6-8) 2.12 5.79 -48.55 3 3 1 46 231.319 2 ↓

Analogs

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Popular Name: N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-1-cyano-cyclopropanecarboxamide N-(2-acetyl-3,4-dihydro-1H-isoqu…

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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) 0.48 6.49 -14.29 1 5 0 73 283.331 2 ↓

Analogs

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Popular Name: 1-cyano-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)cyclopropanecarboxamide 1-cyano-N-(2-propanoyl-3,4-dihyd…

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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) 1.32 7.32 -14.11 1 5 0 73 297.358 3 ↓

Analogs

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Popular Name: 1-cyano-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)cyclopropanecarboxamide 1-cyano-N-(2-propylsulfonyl-3,4-…

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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) 1.38 5.77 -14.36 1 6 0 90 347.44 5 ↓

Parameters Provided:

ring.id = 65878
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 = 65878 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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