UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-(3-aminophenyl)-N-[(1S)-1-methyl-2-oxo-2-(1-piperidyl)ethyl]acetamide 2-(3-aminophenyl)-N-[(1S)-1-meth…

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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) 0.86 4.4 -9.9 3 5 0 75 289.379 4 ↓

Analogs

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Popular Name: 2-(3-aminophenyl)-N-[(1R)-1-methyl-2-oxo-2-(1-piperidyl)ethyl]acetamide 2-(3-aminophenyl)-N-[(1R)-1-meth…

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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) 0.86 4.38 -10.15 3 5 0 75 289.379 4 ↓

Analogs

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Popular Name: N-[2-[(3S)-3-ethoxy-1-piperidyl]-2-oxo-ethyl]-2-(3-fluorophenyl)acetamide N-[2-[(3S)-3-ethoxy-1-piperidyl]…

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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) 1.46 5.93 -11.3 1 5 0 59 322.38 6 ↓

Analogs

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Popular Name: (2S)-2-[ethyl(methyl)amino]-N-[(1S)-1-methyl-2-oxo-2-(1-piperidyl)ethyl]-2-phenyl-acetamide (2S)-2-[ethyl(methyl)amino]-N-[(…

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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) 2.00 5.97 -7.8 1 5 0 53 331.46 6 ↓
Lo Low (pH 4.5-6) 2.00 8.4 -33.98 2 5 1 54 332.468 6 ↓

Analogs

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Popular Name: (2R)-2-[ethyl(methyl)amino]-N-[(1S)-1-methyl-2-oxo-2-(1-piperidyl)ethyl]-2-phenyl-acetamide (2R)-2-[ethyl(methyl)amino]-N-[(…

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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) 2.00 6.05 -7.58 1 5 0 53 331.46 6 ↓
Lo Low (pH 4.5-6) 2.00 8.37 -33.59 2 5 1 54 332.468 6 ↓

Analogs

72250278
72250278
39563907
39563907

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Popular Name: N-[(1S)-1-methyl-2-oxo-2-(1-piperidyl)ethyl]-2-phenyl-acetamide N-[(1S)-1-methyl-2-oxo-2-(1-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) 1.81 6.52 -9.12 1 4 0 49 274.364 4 ↓

Analogs

57221338
57221338

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Popular Name: 2-(4-fluorophenyl)-N-[(1S)-1-methyl-2-oxo-2-(1-piperidyl)ethyl]acetamide 2-(4-fluorophenyl)-N-[(1S)-1-met…

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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) 1.98 6.6 -9.83 1 4 0 49 292.354 4 ↓

Analogs

57221328
57221328

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Popular Name: 2-(4-chlorophenyl)-N-[(1S)-1-methyl-2-oxo-2-(1-piperidyl)ethyl]acetamide 2-(4-chlorophenyl)-N-[(1S)-1-met…

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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) 2.49 7.05 -9.22 1 4 0 49 308.809 4 ↓

Analogs

57222706
57222706

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Popular Name: 2-(4-methoxyphenyl)-N-[(1S)-1-methyl-2-oxo-2-(1-piperidyl)ethyl]acetamide 2-(4-methoxyphenyl)-N-[(1S)-1-me…

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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) 1.87 5.83 -10.63 1 5 0 59 304.39 5 ↓

Analogs

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Popular Name: N-[2-[(3R)-3-ethoxy-1-piperidyl]-2-oxo-ethyl]-2-(3-fluorophenyl)acetamide N-[2-[(3R)-3-ethoxy-1-piperidyl]…

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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) 1.46 5.93 -11.22 1 5 0 59 322.38 6 ↓

Parameters Provided:

ring.id = 36034
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 = 36034 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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