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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

3525673
3525673
3525675
3525675
3527960
3527960

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[(3-chloro-4-cyano-phenyl)amino]-2-oxo-ethyl] [2-[(3-chloro-4-cyano-phenyl)ami…

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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) 2.62 10.2 -23.07 1 7 0 100 427.869 5 ↓

Analogs

3525673
3525673
3525675
3525675
3527960
3527960

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[(3-chloro-4-cyano-phenyl)amino]-2-oxo-ethyl] [2-[(3-chloro-4-cyano-phenyl)ami…

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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) 2.62 10.24 -23.34 1 7 0 100 427.869 5 ↓

Analogs

14244011
14244011
14244012
14244012
14244013
14244013

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R)-2-[[3-(dimethylsulfamoyl)phenyl]amino]-1-methyl-2-oxo-ethyl] [(1R)-2-[[3-(dimethylsulfamoyl)p…

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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) 1.91 8.08 -22.86 1 9 0 113 489.575 7 ↓

Analogs

14244012
14244012
14244013
14244013
14244010
14244010

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S)-2-[[3-(dimethylsulfamoyl)phenyl]amino]-1-methyl-2-oxo-ethyl] [(1S)-2-[[3-(dimethylsulfamoyl)p…

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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) 1.91 8.13 -24.33 1 9 0 113 489.575 7 ↓

Analogs

14244013
14244013
14244010
14244010
14244011
14244011

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R)-2-[[3-(dimethylsulfamoyl)phenyl]amino]-1-methyl-2-oxo-ethyl] [(1R)-2-[[3-(dimethylsulfamoyl)p…

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) 1.91 8.05 -27.88 1 9 0 113 489.575 7 ↓

Analogs

14244010
14244010
14244011
14244011

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S)-2-[[3-(dimethylsulfamoyl)phenyl]amino]-1-methyl-2-oxo-ethyl] [(1S)-2-[[3-(dimethylsulfamoyl)p…

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) 1.91 8.1 -23.05 1 9 0 113 489.575 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S)-2-(2,5-dichloroanilino)-1-methyl-2-oxo-ethyl] [(1S)-2-(2,5-dichloroanilino)-1-…

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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) 3.90 11.26 -16.94 1 6 0 76 451.331 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R)-2-(2,5-dichloroanilino)-1-methyl-2-oxo-ethyl] [(1R)-2-(2,5-dichloroanilino)-1-…

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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) 3.90 11.27 -15.87 1 6 0 76 451.331 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S)-2-(2,5-dichloroanilino)-1-methyl-2-oxo-ethyl] [(1S)-2-(2,5-dichloroanilino)-1-…

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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) 3.90 11.25 -15.97 1 6 0 76 451.331 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R)-2-(2,5-dichloroanilino)-1-methyl-2-oxo-ethyl] [(1R)-2-(2,5-dichloroanilino)-1-…

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) 3.90 11.26 -17.17 1 6 0 76 451.331 5 ↓

Parameters Provided:

ring.id = 231620
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 = 231620 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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