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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: [(3R)-1-(2,1,3-benzoxadiazol-4-ylmethyl)-3-piperidyl]-[3-(trifluoromethyl)phenyl]methanone [(3R)-1-(2,1,3-benzoxadiazol-4-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) 4.45 8.59 -16.25 0 5 0 59 389.377 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-1-(2,1,3-benzoxadiazol-4-ylmethyl)-3-piperidyl]-[3-(trifluoromethyl)phenyl]methanone [(3S)-1-(2,1,3-benzoxadiazol-4-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) 4.45 8.6 -17.82 0 5 0 59 389.377 5 ↓

Analogs

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Popular Name: [(3R)-1-(2,1,3-benzoxadiazol-4-ylmethyl)-3-piperidyl]-(5-fluoro-2-methoxy-phenyl)methanone [(3R)-1-(2,1,3-benzoxadiazol-4-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) 3.72 8.22 -16.74 0 6 0 68 369.396 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-1-(2,1,3-benzoxadiazol-4-ylmethyl)-3-piperidyl]-(5-fluoro-2-methoxy-phenyl)methanone [(3S)-1-(2,1,3-benzoxadiazol-4-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) 3.72 8.24 -16.73 0 6 0 68 369.396 5 ↓

Analogs

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Popular Name: [(3R)-1-(2,1,3-benzoxadiazol-4-ylmethyl)-3-piperidyl]-(2,4-dimethoxyphenyl)methanone [(3R)-1-(2,1,3-benzoxadiazol-4-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) 3.62 7.47 -18.41 0 7 0 78 381.432 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S)-1-(2,1,3-benzoxadiazol-4-ylmethyl)-3-piperidyl]-(2,4-dimethoxyphenyl)methanone [(3S)-1-(2,1,3-benzoxadiazol-4-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) 3.62 7.5 -19.28 0 7 0 78 381.432 6 ↓

Parameters Provided:

ring.id = 70225
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 = 70225 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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