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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: (3S)-4-(4-methylbenzoyl)-N-(3-pyridylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide (3S)-4-(4-methylbenzoyl)-N-(3-py…

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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) 2.42 6.33 -12.95 1 6 0 72 393.487 4 ↓
Lo Low (pH 4.5-6) 2.42 6.8 -51.99 2 6 1 73 394.495 4 ↓

Analogs

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Popular Name: (3R)-4-(4-methylbenzoyl)-N-(3-pyridylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide (3R)-4-(4-methylbenzoyl)-N-(3-py…

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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) 2.42 6.46 -12.22 1 6 0 72 393.487 4 ↓
Lo Low (pH 4.5-6) 2.42 6.93 -54.73 2 6 1 73 394.495 4 ↓

Analogs

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Popular Name: (3S)-4-(3-chlorobenzoyl)-N-(3-pyridylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide (3S)-4-(3-chlorobenzoyl)-N-(3-py…

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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) 2.62 5.89 -9.54 1 6 0 72 413.905 4 ↓
Lo Low (pH 4.5-6) 2.62 6.36 -46.14 2 6 1 73 414.913 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-4-(3-chlorobenzoyl)-N-(3-pyridylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide (3R)-4-(3-chlorobenzoyl)-N-(3-py…

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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) 2.62 5.7 -10.24 1 6 0 72 413.905 4 ↓
Lo Low (pH 4.5-6) 2.62 6.17 -44.65 2 6 1 73 414.913 4 ↓

Analogs

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Popular Name: (3S)-4-(3-fluorobenzoyl)-8-methyl-N-(3-pyridylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide (3S)-4-(3-fluorobenzoyl)-8-methy…

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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) 1.88 6.51 -14.57 1 6 0 72 411.477 4 ↓
Lo Low (pH 4.5-6) 1.88 6.98 -55.37 2 6 1 73 412.485 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-4-(3-fluorobenzoyl)-8-methyl-N-(3-pyridylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide (3R)-4-(3-fluorobenzoyl)-8-methy…

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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) 1.88 7.71 -17.49 1 6 0 72 411.477 4 ↓
Lo Low (pH 4.5-6) 1.88 8.18 -45.69 2 6 1 73 412.485 4 ↓

Analogs

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Popular Name: (3S,5R,9R)-4-(3,5-difluorobenzoyl)-9-methyl-N-(3-pyridylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carbox (3S,5R,9R)-4-(3,5-difluorobenzoy…

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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) 2.23 7.58 -13.71 1 6 0 72 429.467 4 ↓
Lo Low (pH 4.5-6) 2.23 8.05 -49.67 2 6 1 73 430.475 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,5R,9S)-4-(3,5-difluorobenzoyl)-9-methyl-N-(3-pyridylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carbox (3S,5R,9S)-4-(3,5-difluorobenzoy…

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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) 2.23 6.37 -9.88 1 6 0 72 429.467 4 ↓
Lo Low (pH 4.5-6) 2.23 6.83 -47.35 2 6 1 73 430.475 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,5S,9R)-4-(3,5-difluorobenzoyl)-9-methyl-N-(3-pyridylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carbox (3S,5S,9R)-4-(3,5-difluorobenzoy…

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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) 2.23 6.38 -10 1 6 0 72 429.467 4 ↓
Lo Low (pH 4.5-6) 2.23 6.84 -47.52 2 6 1 73 430.475 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,5S,9S)-4-(3,5-difluorobenzoyl)-9-methyl-N-(3-pyridylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carbox (3S,5S,9S)-4-(3,5-difluorobenzoy…

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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) 2.23 7.58 -13.57 1 6 0 72 429.467 4 ↓
Lo Low (pH 4.5-6) 2.23 8.05 -49.66 2 6 1 73 430.475 4 ↓

Parameters Provided:

ring.id = 20814
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 = 20814 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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