UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-ethyl-1-(2-methyl-5-nitro-phenyl)sulfonyl-N-(2-thienylmethyl)piperidine-4-carboxamide N-ethyl-1-(2-methyl-5-nitro-phen…

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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) 3.38 9.33 -17.26 0 8 0 104 451.57 7 ↓

Analogs

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Popular Name: 1-(2,6-dichlorophenyl)sulfonyl-N-ethyl-N-(2-thienylmethyl)piperidine-4-carboxamide 1-(2,6-dichlorophenyl)sulfonyl-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) 4.31 9.54 -15.43 0 5 0 58 461.436 6 ↓

Analogs

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Popular Name: 1-(2,5-dichlorophenyl)sulfonyl-N-ethyl-N-(2-thienylmethyl)piperidine-4-carboxamide 1-(2,5-dichlorophenyl)sulfonyl-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) 4.33 9.04 -14.17 0 5 0 58 461.436 6 ↓

Analogs

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Popular Name: N-ethyl-N-(2-thienylmethyl)-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carboxamide N-ethyl-N-(2-thienylmethyl)-1-(2…

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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) 4.25 10.41 -14.97 0 5 0 58 434.627 6 ↓

Analogs

12854629
12854629
17701893
17701893
17701895
17701895
25080874
25080874
25080879
25080879

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Popular Name: 1-(2,4-dimethylphenyl)sulfonyl-N-[(1R)-1-(2-thienyl)ethyl]piperidine-4-carboxamide 1-(2,4-dimethylphenyl)sulfonyl-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) 3.81 7.36 -12.57 1 5 0 66 406.573 5 ↓

Analogs

17701893
17701893
17701895
17701895
25080874
25080874
25080879
25080879
12854623
12854623

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Popular Name: 1-(2,4-dimethylphenyl)sulfonyl-N-[(1S)-1-(2-thienyl)ethyl]piperidine-4-carboxamide 1-(2,4-dimethylphenyl)sulfonyl-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) 3.81 7.36 -12.55 1 5 0 66 406.573 5 ↓

Analogs

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Popular Name: N-(2-methoxyethyl)-1-(p-tolylsulfonyl)-N-(2-thienylmethyl)piperidine-4-carboxamide N-(2-methoxyethyl)-1-(p-tolylsul…

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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) 3.11 8.18 -16.92 0 6 0 67 436.599 8 ↓

Analogs

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Popular Name: 1-(4-chlorophenyl)sulfonyl-N-[(5-sulfamoyl-2-thienyl)methyl]piperidine-4-carboxamide 1-(4-chlorophenyl)sulfonyl-N-[(5…

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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) 2.09 1.11 -20.1 3 8 0 127 478.017 6 ↓

Analogs

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Popular Name: 1-(4-methoxyphenyl)sulfonyl-N-[(5-sulfamoyl-2-thienyl)methyl]piperidine-4-carboxamide 1-(4-methoxyphenyl)sulfonyl-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) 1.47 -0.12 -21.35 3 9 0 136 473.598 7 ↓

Parameters Provided:

ring.id = 97207
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 = 97207 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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