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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: 5-tert-butyl-3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,2,4-oxadiazole 5-tert-butyl-3-[(6,7-dimethoxy-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) 2.56 6.78 -44.79 1 6 1 62 332.424 5 ↓
Mid Mid (pH 6-8) 2.56 4.52 -11.41 0 6 0 61 331.416 5 ↓

Analogs

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Popular Name: (3R)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic (3R)-2-[(5-methyl-1,2,4-oxadiazo…

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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) -1.01 6.25 -27.11 1 6 0 83 273.292 3 ↓
Hi High (pH 8-9.5) -1.01 4.04 -50.77 0 6 -1 82 272.284 3 ↓

Analogs

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Popular Name: (3S)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic (3S)-2-[(5-methyl-1,2,4-oxadiazo…

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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) -1.01 6.35 -30.02 1 6 0 83 273.292 3 ↓
Hi High (pH 8-9.5) -1.01 4.22 -54.01 0 6 -1 82 272.284 3 ↓

Analogs

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Popular Name: (3R)-2-(1,2,4-oxadiazol-3-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic (3R)-2-(1,2,4-oxadiazol-3-ylmeth…

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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) -1.23 3.48 -54.03 0 6 -1 82 258.257 3 ↓
Mid Mid (pH 6-8) -1.23 5.62 -31.49 1 6 0 83 259.265 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-2-(1,2,4-oxadiazol-3-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic (3S)-2-(1,2,4-oxadiazol-3-ylmeth…

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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) -1.23 3.29 -50.73 0 6 -1 82 258.257 3 ↓
Mid Mid (pH 6-8) -1.23 5.48 -28.58 1 6 0 83 259.265 3 ↓

Analogs

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Popular Name: (3R)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic (3R)-2-[(5-ethyl-1,2,4-oxadiazol…

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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) -0.44 7 -26.48 1 6 0 83 287.319 4 ↓
Hi High (pH 8-9.5) -0.44 4.8 -50.17 0 6 -1 82 286.311 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic (3S)-2-[(5-ethyl-1,2,4-oxadiazol…

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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) -0.44 7.11 -29.31 1 6 0 83 287.319 4 ↓
Hi High (pH 8-9.5) -0.44 4.98 -53.23 0 6 -1 82 286.311 4 ↓

Analogs

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Popular Name: 2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3,4-dihydro-1H-isoquinolin-5-amine 2-[(5-ethyl-1,2,4-oxadiazol-3-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) 1.22 2.16 -9.07 2 5 0 68 258.325 3 ↓
Mid Mid (pH 6-8) 1.22 4.43 -38.97 3 5 1 69 259.333 3 ↓

Analogs

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

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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) 1.71 2.77 -8.84 2 5 0 68 272.352 3 ↓
Mid Mid (pH 6-8) 1.71 5.04 -38.57 3 5 1 69 273.36 3 ↓

Analogs

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Popular Name: 2-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-3,4-dihydro-1H-isoquinolin-5-amine 2-[(5-propyl-1,2,4-oxadiazol-3-y…

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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) 1.72 2.93 -8.61 2 5 0 68 272.352 4 ↓
Mid Mid (pH 6-8) 1.72 5.2 -38.84 3 5 1 69 273.36 4 ↓

Parameters Provided:

ring.id = 92467
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 = 92467 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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