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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-methyl-5-nitro-N-phenyl-2-pyrrolidin-1-yl-benzamide N-methyl-5-nitro-N-phenyl-2-pyrr…

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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) 3.46 10.93 -7.98 0 6 0 69 325.368 4 ↓

Analogs

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Popular Name: 5-(diethylsulfamoyl)-N-(2,3-dimethylphenyl)-2-pyrrolidin-1-yl-benzamide 5-(diethylsulfamoyl)-N-(2,3-dime…

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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) 4.13 9.19 -14.44 1 6 0 70 429.586 7 ↓

Analogs

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Popular Name: 5-(diethylsulfamoyl)-N-[4-(difluoromethoxy)phenyl]-2-pyrrolidin-1-yl-benzamide 5-(diethylsulfamoyl)-N-[4-(diflu…

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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) 3.94 8.62 -14.98 1 7 0 79 467.538 9 ↓

Analogs

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Popular Name: 5-(diethylsulfamoyl)-N-(2-fluoro-4-methyl-phenyl)-2-pyrrolidin-1-yl-benzamide 5-(diethylsulfamoyl)-N-(2-fluoro…

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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 9.85 -10.44 1 6 0 70 433.549 7 ↓

Analogs

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Popular Name: 5-(diethylsulfamoyl)-N-(2-fluoro-5-methyl-phenyl)-2-pyrrolidin-1-yl-benzamide 5-(diethylsulfamoyl)-N-(2-fluoro…

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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 9.84 -10.68 1 6 0 70 433.549 7 ↓

Analogs

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Popular Name: N-[4-(cyanomethyl)phenyl]-5-(diethylsulfamoyl)-2-pyrrolidin-1-yl-benzamide N-[4-(cyanomethyl)phenyl]-5-(die…

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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) 3.29 10.22 -17.01 1 7 0 94 440.569 8 ↓

Analogs

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Popular Name: N-[4-(difluoromethoxy)-3-fluoro-phenyl]-5-nitro-2-pyrrolidin-1-yl-benzamide N-[4-(difluoromethoxy)-3-fluoro-…

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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) 3.93 9.68 -11.26 1 7 0 87 395.337 6 ↓

Analogs

7990907
7990907
9224195
9224195
12534737
12534737
12608821
12608821
12608955
12608955

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Popular Name: N-(5-chloro-2-methyl-phenyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-benzamide N-(5-chloro-2-methyl-phenyl)-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) 3.63 8.74 -12.59 1 6 0 70 421.95 5 ↓

Analogs

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Popular Name: N-(2,5-dimethylphenyl)-5-nitro-2-pyrrolidin-1-yl-benzamide N-(2,5-dimethylphenyl)-5-nitro-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) 4.04 11.57 -7.8 1 6 0 78 339.395 4 ↓

Analogs

7913916
7913916

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Popular Name: 5-nitro-N-(o-tolyl)-2-pyrrolidin-1-yl-benzamide 5-nitro-N-(o-tolyl)-2-pyrrolidin…

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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) 3.62 10.93 -7.64 1 6 0 78 325.368 4 ↓

Analogs

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Popular Name: N-(2,4-dimethylphenyl)-5-nitro-2-pyrrolidin-1-yl-benzamide N-(2,4-dimethylphenyl)-5-nitro-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) 4.04 11.6 -7.67 1 6 0 78 339.395 4 ↓

Analogs

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Popular Name: N-(4-acetamidophenyl)-5-methyl-2-pyrrolidin-1-yl-benzamide N-(4-acetamidophenyl)-5-methyl-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) 2.93 8.91 -16.98 2 5 0 61 337.423 4 ↓

Parameters Provided:

ring.id = 76074
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 = 76074 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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