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Analogs

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Popular Name: 1-[(2-chlorophenyl)carbonyl]piperidin-4-one 1-[(2-chlorophenyl)carbonyl]pipe…

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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) 1.11 6.09 -10.89 0 3 0 37 237.686 1 ↓

Analogs

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Popular Name: 1-(2-fluorobenzoyl)piperidin-4-one 1-(2-fluorobenzoyl)piperidin-4-one

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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) 0.59 5.68 -12.75 0 3 0 37 221.231 1 ↓

Analogs

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Popular Name: 1-(3,5-difluorobenzoyl)piperidin-4-one 1-(3,5-difluorobenzoyl)piperidin…

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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) 0.73 5.88 -8.33 0 3 0 37 239.221 1 ↓

Analogs

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Popular Name: 1-[4-(difluoromethoxy)benzoyl]piperidin-4-one 1-[4-(difluoromethoxy)benzoyl]pi…

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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) 1.09 5.18 -11.06 0 4 0 47 269.247 3 ↓

Analogs

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Popular Name: 1-(2-nitrobenzoyl)piperidin-4-one 1-(2-nitrobenzoyl)piperidin-4-one

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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) 0.39 7.09 -18.59 0 6 0 83 248.238 2 ↓

Analogs

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Popular Name: 1-(3-methoxy-4-methyl-benzoyl)piperidin-4-one 1-(3-methoxy-4-methyl-benzoyl)pi…

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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) 0.91 5.61 -10.71 0 4 0 47 247.294 2 ↓

Analogs

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Popular Name: 1-(2-bromo-5-methoxy-benzoyl)piperidin-4-one 1-(2-bromo-5-methoxy-benzoyl)pip…

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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) 1.27 5.5 -9.99 0 4 0 47 312.163 2 ↓

Analogs

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Popular Name: 1-(2,4-dimethoxybenzoyl)piperidin-4-one 1-(2,4-dimethoxybenzoyl)piperidi…

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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) 1.07 4.51 -12.86 0 5 0 56 263.293 3 ↓

Analogs

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Popular Name: 1-(2-hydroxy-3-methyl-benzoyl)piperidin-4-one 1-(2-hydroxy-3-methyl-benzoyl)pi…

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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) 1.16 3.94 -9.53 1 4 0 58 233.267 1 ↓
Hi High (pH 8-9.5) 1.16 4.54 -49.69 0 4 -1 60 232.259 1 ↓

Analogs

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Popular Name: 1-BENZOYL-4-OXO-NIPECOTIC ACID ETHYL ESTER 1-BENZOYL-4-OXO-NIPECOTIC ACID E…

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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) 0.81 7.71 -13.04 0 5 0 64 275.304 4 ↓

Analogs

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Popular Name: 1-(3,4,5-trifluorobenzoyl)piperidin-4-one 1-(3,4,5-trifluorobenzoyl)piperi…

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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) 0.82 5.74 -9.66 0 3 0 37 257.211 1 ↓

Analogs

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Popular Name: 1-(5-bromo-2-chloro-benzoyl)piperidin-4-one 1-(5-bromo-2-chloro-benzoyl)pipe…

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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) 1.89 6.7 -8.77 0 3 0 37 316.582 1 ↓

Analogs

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Popular Name: 1-[3-(dimethylamino)benzoyl]piperidin-4-one 1-[3-(dimethylamino)benzoyl]pipe…

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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) 0.56 5.98 -9.71 0 4 0 41 246.31 2 ↓

Analogs

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Popular Name: 1-[4-(dimethylamino)benzoyl]piperidin-4-one 1-[4-(dimethylamino)benzoyl]pipe…

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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) 0.58 5.99 -10.22 0 4 0 41 246.31 2 ↓

Parameters Provided:

ring.id = 46428
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 = 46428 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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