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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: (2R)-1-[4-[[[(1R)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]amino]methyl]-1-piperidyl]propan-2-ol (2R)-1-[4-[[[(1R)-1-(3-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) 1.75 3.93 -103.03 4 6 2 80 312.458 8 ↓
Hi High (pH 8-9.5) 1.75 2.77 -39.98 3 6 1 76 311.45 8 ↓

Analogs

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Popular Name: (2R)-1-[4-[[[(1S)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]amino]methyl]-1-piperidyl]propan-2-ol (2R)-1-[4-[[[(1S)-1-(3-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) 1.75 3.94 -102.81 4 6 2 80 312.458 8 ↓
Hi High (pH 8-9.5) 1.75 2.74 -38.61 3 6 1 76 311.45 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[4-[[[(1R)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]amino]methyl]-1-piperidyl]propan-2-ol (2S)-1-[4-[[[(1R)-1-(3-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) 1.75 3.91 -103.25 4 6 2 80 312.458 8 ↓
Hi High (pH 8-9.5) 1.75 2.73 -39.93 3 6 1 76 311.45 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[4-[[[(1S)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]amino]methyl]-1-piperidyl]propan-2-ol (2S)-1-[4-[[[(1S)-1-(3-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) 1.75 3.91 -103.14 4 6 2 80 312.458 8 ↓
Hi High (pH 8-9.5) 1.75 2.69 -38.28 3 6 1 76 311.45 8 ↓

Analogs

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Popular Name: 2-[4-[[[(1R)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]amino]methyl]-1-piperidyl]ethanol 2-[4-[[[(1R)-1-(3-propyl-1,2,4-o…

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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) 1.38 3.15 -102.47 4 6 2 80 298.431 8 ↓
Hi High (pH 8-9.5) 1.38 1.98 -37.88 3 6 1 76 297.423 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[[[(1S)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]amino]methyl]-1-piperidyl]ethanol 2-[4-[[[(1S)-1-(3-propyl-1,2,4-o…

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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) 1.38 3.16 -102.26 4 6 2 80 298.431 8 ↓
Hi High (pH 8-9.5) 1.38 2.07 -35.97 3 6 1 76 297.423 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]-1-piperidyl]ethanol 2-[4-[[(3-methyl-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) -0.25 1.31 -104.83 4 6 2 80 256.35 6 ↓
Hi High (pH 8-9.5) -0.25 -0.06 -37.93 3 6 1 76 255.342 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[4-[[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]-1-piperidyl]propan-2-ol (2R)-1-[4-[[(3-methyl-1,2,4-oxad…

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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 2.11 -105.33 4 6 2 80 270.377 6 ↓
Hi High (pH 8-9.5) 0.11 0.73 -40.11 3 6 1 76 269.369 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[4-[[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]-1-piperidyl]propan-2-ol (2S)-1-[4-[[(3-methyl-1,2,4-oxad…

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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 2.08 -105.64 4 6 2 80 270.377 6 ↓
Hi High (pH 8-9.5) 0.11 0.69 -39.97 3 6 1 76 269.369 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[4-[[methyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-1-piperidyl]propan-2-ol (2R)-1-[4-[[methyl-[(3-methyl-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) 0.36 4.28 -103.48 3 6 2 68 284.404 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[4-[[methyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-1-piperidyl]propan-2-ol (2S)-1-[4-[[methyl-[(3-methyl-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) 0.36 4.24 -103.41 3 6 2 68 284.404 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[4-[[methyl-[(1R)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]amino]methyl]-1-piperidyl]propan-2-o (2R)-1-[4-[[methyl-[(1R)-1-(3-pr…

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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) 1.99 5.82 -101.22 3 6 2 68 326.485 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[4-[[methyl-[(1S)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]amino]methyl]-1-piperidyl]propan-2-o (2R)-1-[4-[[methyl-[(1S)-1-(3-pr…

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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) 1.99 5.8 -98.25 3 6 2 68 326.485 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[[methyl-[(1R)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]amino]methyl]-1-piperidyl]ethanol 2-[4-[[methyl-[(1R)-1-(3-propyl-…

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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 5.05 -98.61 3 6 2 68 312.458 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[[methyl-[(1S)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]amino]methyl]-1-piperidyl]ethanol 2-[4-[[methyl-[(1S)-1-(3-propyl-…

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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 5.02 -96.1 3 6 2 68 312.458 8 ↓

Parameters Provided:

ring.id = 287899
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 = 287899 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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