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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-[(1S)-6-(4-methoxy-2-methyl-phenyl)sulfonyl-6-azaspiro[2.5]octan-1-yl]-3-(3-pyridyl)-1,2,4-oxadiaz 5-[(1S)-6-(4-methoxy-2-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) 2.91 5.71 -18.22 0 8 0 98 440.525 5 ↓
Lo Low (pH 4.5-6) 2.91 6.16 -46.25 1 8 1 100 441.533 5 ↓

Analogs

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Popular Name: 5-[(1R)-6-(4-methoxy-2-methyl-phenyl)sulfonyl-6-azaspiro[2.5]octan-1-yl]-3-(3-pyridyl)-1,2,4-oxadiaz 5-[(1R)-6-(4-methoxy-2-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) 2.91 5.71 -17.37 0 8 0 98 440.525 5 ↓
Lo Low (pH 4.5-6) 2.91 6.16 -45.74 1 8 1 100 441.533 5 ↓

Analogs

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Popular Name: 5-[(1S)-6-(3-chloro-4-methyl-phenyl)sulfonyl-6-azaspiro[2.5]octan-1-yl]-3-(3-pyridyl)-1,2,4-oxadiazo 5-[(1S)-6-(3-chloro-4-methyl-phe…

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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) 3.53 7.16 -15.91 0 7 0 89 444.944 4 ↓
Lo Low (pH 4.5-6) 3.53 7.61 -45.21 1 7 1 90 445.952 4 ↓

Analogs

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Popular Name: 5-[(1R)-6-(3-chloro-4-methyl-phenyl)sulfonyl-6-azaspiro[2.5]octan-1-yl]-3-(3-pyridyl)-1,2,4-oxadiazo 5-[(1R)-6-(3-chloro-4-methyl-phe…

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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) 3.53 7.19 -16.89 0 7 0 89 444.944 4 ↓
Lo Low (pH 4.5-6) 3.53 7.64 -44.65 1 7 1 90 445.952 4 ↓

Analogs

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Popular Name: 5-[(1S)-6-(2-fluoro-5-methyl-phenyl)sulfonyl-6-azaspiro[2.5]octan-1-yl]-3-(3-pyridyl)-1,2,4-oxadiazo 5-[(1S)-6-(2-fluoro-5-methyl-phe…

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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) 3.02 6.69 -16.87 0 7 0 89 428.489 4 ↓
Lo Low (pH 4.5-6) 3.02 7.14 -44.81 1 7 1 90 429.497 4 ↓

Analogs

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Popular Name: 5-[(1R)-6-(2-fluoro-5-methyl-phenyl)sulfonyl-6-azaspiro[2.5]octan-1-yl]-3-(3-pyridyl)-1,2,4-oxadiazo 5-[(1R)-6-(2-fluoro-5-methyl-phe…

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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) 3.02 6.69 -17.74 0 7 0 89 428.489 4 ↓
Lo Low (pH 4.5-6) 3.02 7.14 -45.05 1 7 1 90 429.497 4 ↓

Analogs

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Popular Name: 5-[(1S)-6-(5-fluoro-2-methyl-phenyl)sulfonyl-6-azaspiro[2.5]octan-1-yl]-3-(3-pyridyl)-1,2,4-oxadiazo 5-[(1S)-6-(5-fluoro-2-methyl-phe…

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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) 3.02 6.49 -19.05 0 7 0 89 428.489 4 ↓
Lo Low (pH 4.5-6) 3.02 6.94 -46.75 1 7 1 90 429.497 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(1R)-6-(5-fluoro-2-methyl-phenyl)sulfonyl-6-azaspiro[2.5]octan-1-yl]-3-(3-pyridyl)-1,2,4-oxadiazo 5-[(1R)-6-(5-fluoro-2-methyl-phe…

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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) 3.02 6.49 -17.57 0 7 0 89 428.489 4 ↓
Lo Low (pH 4.5-6) 3.02 6.94 -46.28 1 7 1 90 429.497 4 ↓

Analogs

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Popular Name: 5-[(2R)-6-(4-fluorophenyl)sulfonyl-6-azaspiro[2.5]octan-2-yl]-3-(3-pyridyl)-1,2,4-oxadiazole 5-[(2R)-6-(4-fluorophenyl)sulfon…

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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) 2.64 6.14 -16.12 0 7 0 89 414.462 4 ↓
Lo Low (pH 4.5-6) 2.64 6.6 -45.04 1 7 1 90 415.47 4 ↓

Analogs

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Popular Name: 5-[(2S)-6-(4-fluorophenyl)sulfonyl-6-azaspiro[2.5]octan-2-yl]-3-(3-pyridyl)-1,2,4-oxadiazole 5-[(2S)-6-(4-fluorophenyl)sulfon…

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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) 2.64 6.14 -16.15 0 7 0 89 414.462 4 ↓
Lo Low (pH 4.5-6) 2.64 6.6 -45.08 1 7 1 90 415.47 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(1S)-6-(4-methoxy-3-methyl-phenyl)sulfonyl-6-azaspiro[2.5]octan-1-yl]-3-(3-pyridyl)-1,2,4-oxadiaz 5-[(1S)-6-(4-methoxy-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) 2.91 6.1 -16 0 8 0 98 440.525 5 ↓
Lo Low (pH 4.5-6) 2.91 6.55 -46.25 1 8 1 100 441.533 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(1R)-6-(4-methoxy-3-methyl-phenyl)sulfonyl-6-azaspiro[2.5]octan-1-yl]-3-(3-pyridyl)-1,2,4-oxadiaz 5-[(1R)-6-(4-methoxy-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) 2.91 6.12 -17.29 0 8 0 98 440.525 5 ↓
Lo Low (pH 4.5-6) 2.91 6.57 -45.46 1 8 1 100 441.533 5 ↓

Analogs

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Popular Name: 5-[(1S)-6-(benzenesulfonyl)-6-azaspiro[2.5]octan-1-yl]-3-(3-pyridyl)-1,2,4-oxadiazole 5-[(1S)-6-(benzenesulfonyl)-6-az…

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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) 2.48 6.08 -16.93 0 7 0 89 396.472 4 ↓
Lo Low (pH 4.5-6) 2.48 6.53 -44.74 1 7 1 90 397.48 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(1R)-6-(benzenesulfonyl)-6-azaspiro[2.5]octan-1-yl]-3-(3-pyridyl)-1,2,4-oxadiazole 5-[(1R)-6-(benzenesulfonyl)-6-az…

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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) 2.48 6.08 -16.92 0 7 0 89 396.472 4 ↓
Lo Low (pH 4.5-6) 2.48 6.53 -44.76 1 7 1 90 397.48 4 ↓

Parameters Provided:

ring.id = 450805
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 = 450805 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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