UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

8060466
8060466
8060736
8060736

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Popular Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-methoxyphenyl)-2-oxo-acetamide 2-(3,4-dihydro-1H-isoquinolin-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) 1.92 6.43 -7.41 1 5 0 59 310.353 3 ↓

Analogs

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Popular Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-(2-isopropoxyethoxymethyl)phenyl]-2-oxo-acetamide 2-(3,4-dihydro-1H-isoquinolin-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) 2.32 8.82 -8.66 1 6 0 68 396.487 8 ↓

Analogs

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Popular Name: N-(2-chloro-4-methoxy-phenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-acetamide N-(2-chloro-4-methoxy-phenyl)-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) 2.52 7.06 -6.33 1 5 0 59 344.798 3 ↓

Analogs

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Popular Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(3-methoxypropoxy)phenyl]-2-oxo-acetamide 2-(3,4-dihydro-1H-isoquinolin-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) 2.12 7.34 -8.94 1 6 0 68 368.433 7 ↓

Analogs

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Popular Name: 4-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-acetyl]amino]-N-[(1R)-1-methylpropyl]benzamide 4-[[2-(3,4-dihydro-1H-isoquinoli…

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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) 2.26 8.02 -10.63 2 6 0 79 379.46 5 ↓

Analogs

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Popular Name: 4-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-acetyl]amino]-N-[(1S)-1-methylpropyl]benzamide 4-[[2-(3,4-dihydro-1H-isoquinoli…

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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) 2.26 8.02 -10.61 2 6 0 79 379.46 5 ↓

Analogs

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Popular Name: N-(5-cyano-2-isopropoxy-phenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-acetamide N-(5-cyano-2-isopropoxy-phenyl)-…

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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) 2.34 8.43 -9.4 1 6 0 82 363.417 4 ↓

Analogs

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Popular Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-[isopropyl(methyl)amino]phenyl]-2-oxo-acetamide 2-(3,4-dihydro-1H-isoquinolin-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) 2.61 8.79 -6.55 1 5 0 53 351.45 4 ↓
Lo Low (pH 4.5-6) 2.61 9.41 -27.17 2 5 0 54 352.458 4 ↓

Analogs

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Popular Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxo-acetamide 2-(3,4-dihydro-1H-isoquinolin-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) 2.85 8.21 -6.55 1 4 0 49 366.314 3 ↓
Hi High (pH 8-9.5) 3.03 8.26 -38.24 0 4 -1 56 365.306 3 ↓

Analogs

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Popular Name: N-[3-chloro-2-(2-methoxyethoxy)phenyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-acetamide N-[3-chloro-2-(2-methoxyethoxy)p…

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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) 2.39 7.42 -7.76 1 6 0 68 388.851 6 ↓

Analogs

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Popular Name: N-(2-ethoxy-4-methyl-phenyl)-2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-acetamide N-(2-ethoxy-4-methyl-phenyl)-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) 2.70 7.44 -8.77 1 6 0 68 368.433 5 ↓

Analogs

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Popular Name: N-(2-ethylphenyl)-2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-acetamide N-(2-ethylphenyl)-2-(7-methoxy-3…

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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) 2.76 8.09 -7.6 1 5 0 59 338.407 4 ↓

Analogs

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Popular Name: N-(3-chloro-4-fluoro-phenyl)-2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-acetamide N-(3-chloro-4-fluoro-phenyl)-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) 2.66 7 -9.23 1 5 0 59 362.788 3 ↓

Analogs

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Popular Name: N-(3-ethynylphenyl)-2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-acetamide N-(3-ethynylphenyl)-2-(7-methoxy…

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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 7.63 -10.58 1 5 0 59 334.375 3 ↓

Analogs

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Popular Name: N-(3-chlorophenyl)-2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-acetamide N-(3-chlorophenyl)-2-(7-methoxy-…

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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) 2.54 6.95 -8.83 1 5 0 59 344.798 3 ↓

Analogs

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Popular Name: N-[4-(dimethylamino)-3-methyl-phenyl]-2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-acetamide N-[4-(dimethylamino)-3-methyl-ph…

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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) 2.37 8.34 -7.67 1 6 0 62 367.449 4 ↓
Lo Low (pH 4.5-6) 2.37 8.22 -37.61 2 6 1 63 368.457 4 ↓

Parameters Provided:

ring.id = 24080
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 = 24080 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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