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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: 2-[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]acetonitrile 2-[(3S)-3-(5-methyl-1,3,4-oxadia…

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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) 0.14 1.51 -11.67 0 5 0 66 254.293 2 ↓

Analogs

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Popular Name: 2-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]acetonitrile 2-[(3R)-3-(5-methyl-1,3,4-oxadia…

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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) 0.14 1.51 -11.66 0 5 0 66 254.293 2 ↓

Analogs

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Popular Name: 2-methyl-5-[(3S)-2-(2-methylsulfonylethyl)-3,4-dihydro-1H-isoquinolin-3-yl]-1,3,4-oxadiazole 2-methyl-5-[(3S)-2-(2-methylsulf…

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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) -0.24 -0.68 -19.32 0 6 0 76 321.402 4 ↓
Lo Low (pH 4.5-6) -0.24 1.53 -52.01 1 6 1 78 322.41 4 ↓

Analogs

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Popular Name: 2-methyl-5-[(3R)-2-(2-methylsulfonylethyl)-3,4-dihydro-1H-isoquinolin-3-yl]-1,3,4-oxadiazole 2-methyl-5-[(3R)-2-(2-methylsulf…

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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) -0.24 -0.68 -19.28 0 6 0 76 321.402 4 ↓
Lo Low (pH 4.5-6) -0.24 1.53 -52.01 1 6 1 78 322.41 4 ↓

Analogs

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Popular Name: 3-[(3S)-3-(5-ethyl-1,3,4-oxadiazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]propanenitrile 3-[(3S)-3-(5-ethyl-1,3,4-oxadiaz…

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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) 0.38 3.02 -12.08 0 5 0 66 282.347 4 ↓
Lo Low (pH 4.5-6) 0.38 5.24 -51.44 1 5 1 67 283.355 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3R)-3-(5-ethyl-1,3,4-oxadiazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]propanenitrile 3-[(3R)-3-(5-ethyl-1,3,4-oxadiaz…

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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) 0.38 3.02 -12.03 0 5 0 66 282.347 4 ↓
Lo Low (pH 4.5-6) 0.38 5.24 -51.54 1 5 1 67 283.355 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]propanenitrile 3-[(3S)-3-(5-methyl-1,3,4-oxadia…

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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) -0.19 2.26 -12.54 0 5 0 66 268.32 3 ↓
Lo Low (pH 4.5-6) -0.19 4.48 -51.86 1 5 1 67 269.328 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]propanenitrile 3-[(3R)-3-(5-methyl-1,3,4-oxadia…

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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) -0.19 2.26 -12.53 0 5 0 66 268.32 3 ↓
Lo Low (pH 4.5-6) -0.19 4.48 -51.78 1 5 1 67 269.328 3 ↓

Analogs

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Popular Name: 2-methyl-5-[(3S)-2-(2-methylallyl)-3,4-dihydro-1H-isoquinolin-3-yl]-1,3,4-oxadiazole 2-methyl-5-[(3S)-2-(2-methylally…

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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) 1.55 2.97 -7.74 0 4 0 42 269.348 3 ↓
Mid Mid (pH 6-8) 1.55 5.18 -34.4 1 4 1 43 270.356 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-5-[(3R)-2-(2-methylallyl)-3,4-dihydro-1H-isoquinolin-3-yl]-1,3,4-oxadiazole 2-methyl-5-[(3R)-2-(2-methylally…

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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) 1.55 2.89 -8.31 0 4 0 42 269.348 3 ↓
Mid Mid (pH 6-8) 1.55 5.1 -33.91 1 4 1 43 270.356 3 ↓

Parameters Provided:

ring.id = 409895
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 = 409895 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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