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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: 3,4-dihydro-1H-isoquinolin-2-yl-(1,3-dimethylpyrazol-4-yl)methanone 3,4-dihydro-1H-isoquinolin-2-yl-…

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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) 0.89 0.7 -12.73 0 4 0 38 255.321 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,4-dihydro-1H-isoquinolin-2-yl-(1-isopropyl-3-methyl-pyrazol-4-yl)methanone 3,4-dihydro-1H-isoquinolin-2-yl-…

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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) 1.63 0.92 -11.78 0 4 0 38 283.375 2 ↓

Analogs

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Popular Name: (3-tert-butyl-1-methyl-pyrazol-4-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone (3-tert-butyl-1-methyl-pyrazol-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) 2.62 1.56 -10.85 0 4 0 38 297.402 2 ↓

Analogs

37999631
37999631

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Popular Name: 3,4-dihydro-1H-isoquinolin-2-yl(1H-pyrazol-4-yl)methanone 3,4-dihydro-1H-isoquinolin-2-yl(…

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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) 0.61 4.94 -9.73 1 4 0 49 227.267 1 ↓

Analogs

37842092
37842092

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Popular Name: 3,4-dihydro-1H-isoquinolin-2-yl-(3,5-dimethyl-1H-pyrazol-4-yl)methanone 3,4-dihydro-1H-isoquinolin-2-yl-…

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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) 1.05 6.36 -9.74 1 4 0 49 255.321 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(1-methyl-5-propyl-pyrazol-4-yl)methanone (6,7-dimethoxy-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) 1.59 7.5 -13.2 0 6 0 57 343.427 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone (7-hydroxy-3,4-dihydro-1H-isoqui…

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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) 0.61 4.73 -12.08 1 5 0 58 285.347 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1,5-dimethylpyrazol-4-yl)-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone (1,5-dimethylpyrazol-4-yl)-(7-hy…

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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) 0.39 3.96 -11.36 1 5 0 58 271.32 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(1H-pyrazol-4-yl)methanone (5-amino-3,4-dihydro-1H-isoquino…

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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) 0.04 2.92 -10.25 3 5 0 75 242.282 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(3,5-dimethyl-1H-pyrazol-4-yl)methanone (5-amino-3,4-dihydro-1H-isoquino…

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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 4.35 -10.28 3 5 0 75 270.336 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(1-methylpyrazol-4-yl)methanone (5-amino-3,4-dihydro-1H-isoquino…

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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) 0.11 4.25 -10.76 2 5 0 64 256.309 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone (5-amino-3,4-dihydro-1H-isoquino…

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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) 0.55 5.58 -11.01 2 5 0 64 284.363 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(1,5-dimethylpyrazol-4-yl)methanone (5-amino-3,4-dihydro-1H-isoquino…

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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) 0.33 4.8 -10.59 2 5 0 64 270.336 1 ↓

Analogs

35732510
35732510

Draw Identity 99% 90% 80% 70%

Popular Name: (7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(1H-pyrazol-4-yl)methanone (7-hydroxy-3,4-dihydro-1H-isoqui…

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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) 0.10 2.07 -10.97 2 5 0 69 243.266 1 ↓

Analogs

36165493
36165493

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Popular Name: (3,5-dimethyl-1H-pyrazol-4-yl)-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone (3,5-dimethyl-1H-pyrazol-4-yl)-(…

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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) 0.55 3.5 -11.12 2 5 0 69 271.32 1 ↓

Parameters Provided:

ring.id = 74322
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 = 74322 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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