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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: (1R,5S)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine (1R,5S)-N-[(5-ethyl-1,2,4-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) 0.95 4.16 -38.23 2 5 1 59 251.354 4 ↓
Mid Mid (pH 6-8) 0.95 3.08 -32.7 2 5 1 55 251.354 4 ↓

Analogs

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Popular Name: (1R,5S)-N-ethyl-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine (1R,5S)-N-ethyl-N-[(5-ethyl-1,2,…

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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) 1.32 4.64 -37.96 2 5 1 59 265.381 5 ↓
Mid Mid (pH 6-8) 1.32 4.8 -99.83 3 5 2 60 266.389 5 ↓

Analogs

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Popular Name: (1R,5S)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine (1R,5S)-N-[(5-ethyl-1,2,4-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) 1.82 5.34 -38.16 2 5 1 59 279.408 6 ↓
Mid Mid (pH 6-8) 1.83 4.26 -31.88 2 5 1 55 279.408 6 ↓

Analogs

40747194
40747194
40748283
40748283

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,5S)-N-[(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine (1R,5S)-N-[(5-isopropyl-1,2,4-ox…

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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) 1.43 4.77 -37.87 2 5 1 59 265.381 4 ↓
Mid Mid (pH 6-8) 1.43 3.68 -32.31 2 5 1 55 265.381 4 ↓

Analogs

40747194
40747194
40748283
40748283

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,5S)-N-ethyl-N-[(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine (1R,5S)-N-ethyl-N-[(5-isopropyl-…

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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) 1.81 5.1 -39.65 2 5 1 59 279.408 5 ↓
Mid Mid (pH 6-8) 1.81 5.19 -100.89 3 5 2 60 280.416 5 ↓

Analogs

40747194
40747194
40748283
40748283

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,5S)-N-[(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine (1R,5S)-N-[(5-isopropyl-1,2,4-ox…

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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) 2.31 5.94 -37.99 2 5 1 59 293.435 6 ↓
Mid Mid (pH 6-8) 2.31 4.87 -31.51 2 5 1 55 293.435 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,5S)-N-methyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine (1R,5S)-N-methyl-N-[(5-propyl-1,…

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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) 1.45 4.93 -37.89 2 5 1 59 265.381 5 ↓
Mid Mid (pH 6-8) 1.45 3.85 -32.57 2 5 1 55 265.381 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,5S)-N-ethyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine (1R,5S)-N-ethyl-N-[(5-propyl-1,2…

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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) 1.82 5.41 -37.63 2 5 1 59 279.408 6 ↓
Mid Mid (pH 6-8) 1.83 5.57 -99.9 3 5 2 60 280.416 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,5S)-N-propyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine (1R,5S)-N-propyl-N-[(5-propyl-1,…

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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) 2.33 6.03 -39.76 2 5 1 59 293.435 7 ↓
Mid Mid (pH 6-8) 2.33 4.81 -31 2 5 1 55 293.435 7 ↓

Parameters Provided:

ring.id = 552396
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 = 552396 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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