UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

13011923
13011923

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Popular Name: N'-[(1R)-1-(2-methoxyphenyl)ethyl]-N-phenyl-piperidine-1,4-dicarboxamide N'-[(1R)-1-(2-methoxyphenyl)ethy…

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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) 3.54 8.51 -17.24 2 6 0 71 381.476 5 ↓

Analogs

13011922
13011922

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Popular Name: N'-[(1S)-1-(2-methoxyphenyl)ethyl]-N-phenyl-piperidine-1,4-dicarboxamide N'-[(1S)-1-(2-methoxyphenyl)ethy…

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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) 3.54 8.6 -20.11 2 6 0 71 381.476 5 ↓

Analogs

4965439
4965439

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Popular Name: N'-[(3-chlorophenyl)methyl]-N'-methyl-N-phenyl-piperidine-1,4-dicarboxamide N'-[(3-chlorophenyl)methyl]-N'-m…

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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) 3.87 10.67 -18.04 1 5 0 53 385.895 4 ↓

Analogs

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Popular Name: N4-[[3-(methoxymethyl)phenyl]methyl]-N1-phenyl-piperidine-1,4-dicarboxamide N4-[[3-(methoxymethyl)phenyl]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) 2.90 8 -15.06 2 6 0 71 381.476 6 ↓

Analogs

4965462
4965462

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Popular Name: N'-[(3,4-dimethoxyphenyl)methyl]-N-phenyl-piperidine-1,4-dicarboxamide N'-[(3,4-dimethoxyphenyl)methyl]…

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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) 2.61 7.48 -17.76 2 7 0 80 397.475 6 ↓

Parameters Provided:

ring.id = 112007
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 = 112007 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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