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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: 3-[(3R)-4-oxa-1-azaspiro[5.5]undecan-3-yl]benzonitrile 3-[(3R)-4-oxa-1-azaspiro[5.5]und…

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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) 3.23 7.51 -43.53 2 3 1 50 257.357 1 ↓
Hi High (pH 8-9.5) 3.23 6.33 -4.54 1 3 0 45 256.349 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3S)-4-oxa-1-azaspiro[5.5]undecan-3-yl]benzonitrile 3-[(3S)-4-oxa-1-azaspiro[5.5]und…

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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) 3.23 7.49 -43.62 2 3 1 50 257.357 1 ↓
Hi High (pH 8-9.5) 3.23 6.67 -4.78 1 3 0 45 256.349 1 ↓

Analogs

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Popular Name: 3-[(9R)-3-methyl-10-oxa-7-azaspiro[5.5]undecan-9-yl]benzonitrile 3-[(9R)-3-methyl-10-oxa-7-azaspi…

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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) 3.00 7.72 -46.22 2 3 1 50 271.384 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(9S)-3-methyl-10-oxa-7-azaspiro[5.5]undecan-9-yl]benzonitrile 3-[(9S)-3-methyl-10-oxa-7-azaspi…

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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) 3.00 8.1 -44.27 2 3 1 50 271.384 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(4R,6R,9R)-4-methyl-10-oxa-7-azaspiro[5.5]undecan-9-yl]benzonitrile 3-[(4R,6R,9R)-4-methyl-10-oxa-7-…

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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) 3.24 8.13 -44.19 2 3 1 50 271.384 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(4S,6R,9R)-4-methyl-10-oxa-7-azaspiro[5.5]undecan-9-yl]benzonitrile 3-[(4S,6R,9R)-4-methyl-10-oxa-7-…

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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) 3.24 7.71 -46.08 2 3 1 50 271.384 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(4R,6S,9R)-4-methyl-10-oxa-7-azaspiro[5.5]undecan-9-yl]benzonitrile 3-[(4R,6S,9R)-4-methyl-10-oxa-7-…

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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) 3.24 7.71 -46.08 2 3 1 50 271.384 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(4S,6S,9R)-4-methyl-10-oxa-7-azaspiro[5.5]undecan-9-yl]benzonitrile 3-[(4S,6S,9R)-4-methyl-10-oxa-7-…

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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) 3.24 8.13 -44.14 2 3 1 50 271.384 1 ↓

Parameters Provided:

ring.id = 520723
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 = 520723 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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