UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: [2-(4-benzyl-1-piperidyl)-2-oxo-ethyl]-phenyl-BLAHone [2-(4-benzyl-1-piperidyl)-2-oxo-…

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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) 3.84 14.7 -13.02 0 7 0 73 485.613 5 ↓

Analogs

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Popular Name: [2-(4-benzyl-1-piperidyl)-2-oxo-ethyl]-phenyl-BLAHone [2-(4-benzyl-1-piperidyl)-2-oxo-…

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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) 3.84 14.7 -12.91 0 7 0 73 485.613 5 ↓

Analogs

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Popular Name: [2-(4-benzyl-1-piperidyl)-2-oxo-ethyl]-(m-tolyl)BLAHone [2-(4-benzyl-1-piperidyl)-2-oxo-…

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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) 4.48 15.37 -12.9 0 7 0 73 499.64 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(4-benzyl-1-piperidyl)-2-oxo-ethyl]-(m-tolyl)BLAHone [2-(4-benzyl-1-piperidyl)-2-oxo-…

Find On: PubMed — Wikipedia — Google

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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) 4.48 15.37 -12.95 0 7 0 73 499.64 5 ↓

Analogs

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Popular Name: [2-(4-benzyl-1-piperidyl)-2-oxo-ethyl]-(3-chlorophenyl)BLAHone [2-(4-benzyl-1-piperidyl)-2-oxo-…

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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) 4.71 15.23 -12.2 0 7 0 73 520.058 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(4-benzyl-1-piperidyl)-2-oxo-ethyl]-(3-chlorophenyl)BLAHone [2-(4-benzyl-1-piperidyl)-2-oxo-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 4.71 15.21 -12.4 0 7 0 73 520.058 5 ↓

Analogs

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Popular Name: [2-(4-benzyl-1-piperidyl)-2-oxo-ethyl]-(4-chlorophenyl)BLAHone [2-(4-benzyl-1-piperidyl)-2-oxo-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 4.52 15.23 -11.13 0 7 0 73 520.058 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(4-benzyl-1-piperidyl)-2-oxo-ethyl]-(4-chlorophenyl)BLAHone [2-(4-benzyl-1-piperidyl)-2-oxo-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 4.52 15.23 -11.1 0 7 0 73 520.058 5 ↓

Analogs

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Popular Name: [2-(4-benzyl-1-piperidyl)-2-oxo-ethyl]-(4-fluorophenyl)BLAHone [2-(4-benzyl-1-piperidyl)-2-oxo-…

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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) 4.01 14.78 -11.31 0 7 0 73 503.603 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(4-benzyl-1-piperidyl)-2-oxo-ethyl]-(4-fluorophenyl)BLAHone [2-(4-benzyl-1-piperidyl)-2-oxo-…

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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) 4.01 14.78 -11.37 0 7 0 73 503.603 5 ↓

Analogs

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Popular Name: [2-(4-benzyl-1-piperidyl)-2-oxo-ethyl]-(3,4-dimethylphenyl)BLAHone [2-(4-benzyl-1-piperidyl)-2-oxo-…

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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) 4.88 15.92 -12.98 0 7 0 73 513.667 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(4-benzyl-1-piperidyl)-2-oxo-ethyl]-(3,4-dimethylphenyl)BLAHone [2-(4-benzyl-1-piperidyl)-2-oxo-…

Find On: PubMed — Wikipedia — Google

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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) 4.88 15.9 -13 0 7 0 73 513.667 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(4-benzyl-1-piperidyl)-2-oxo-ethyl]-(2,4-dimethylphenyl)BLAHone [2-(4-benzyl-1-piperidyl)-2-oxo-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 4.88 16.2 -12.68 0 7 0 73 513.667 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(4-benzyl-1-piperidyl)-2-oxo-ethyl]-(2,4-dimethylphenyl)BLAHone [2-(4-benzyl-1-piperidyl)-2-oxo-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 4.88 16.58 -12.4 0 7 0 73 513.667 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(4-benzyl-1-piperidyl)-2-oxo-ethyl]-(p-tolyl)BLAHone [2-(4-benzyl-1-piperidyl)-2-oxo-…

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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) 4.29 15.39 -12.69 0 7 0 73 499.64 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(4-benzyl-1-piperidyl)-2-oxo-ethyl]-(p-tolyl)BLAHone [2-(4-benzyl-1-piperidyl)-2-oxo-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 4.29 15.38 -12.75 0 7 0 73 499.64 5 ↓

Parameters Provided:

ring.id = 229329
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 = 229329 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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