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

Analogs

36537012
36537012

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Popular Name: N-[2-[methyl-[(E,1S)-1-(p-tolylsulfonylmethylcarbamoyl)hex-2-enyl]amino]-2-oxo-ethyl]benzamide N-[2-[methyl-[(E,1S)-1-(p-tolyls…

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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) 2.70 7 -23.09 2 8 0 113 485.606 11 ↓

Analogs

36537011
36537011

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Popular Name: N-[2-[methyl-[(E,1R)-1-(p-tolylsulfonylmethylcarbamoyl)hex-2-enyl]amino]-2-oxo-ethyl]benzamide N-[2-[methyl-[(E,1R)-1-(p-tolyls…

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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) 2.70 7.21 -21.71 2 8 0 113 485.606 11 ↓

Analogs

36537040
36537040

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Popular Name: N-[2-[[(1S)-2-ethyl-1-(p-tolylsulfonylmethylcarbamoyl)butyl]-methyl-amino]-2-oxo-ethyl]benzamide N-[2-[[(1S)-2-ethyl-1-(p-tolylsu…

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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) 2.63 7.32 -22.24 2 8 0 113 487.622 11 ↓

Analogs

36537039
36537039

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Popular Name: N-[2-[[(1R)-2-ethyl-1-(p-tolylsulfonylmethylcarbamoyl)butyl]-methyl-amino]-2-oxo-ethyl]benzamide N-[2-[[(1R)-2-ethyl-1-(p-tolylsu…

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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) 2.63 6.33 -18.44 2 8 0 113 487.622 11 ↓

Analogs

36537086
36537086
36537087
36537087
36537088
36537088

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Popular Name: N-[2-[methyl-[(Z,1S)-1-(p-tolylsulfonylmethylcarbamoyl)but-2-enyl]amino]-2-oxo-ethyl]benzamide N-[2-[methyl-[(Z,1S)-1-(p-tolyls…

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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) 1.40 5.34 -23.43 2 8 0 113 457.552 9 ↓

Analogs

36537087
36537087
36537088
36537088
36537085
36537085

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[methyl-[(E,1S)-1-(p-tolylsulfonylmethylcarbamoyl)but-2-enyl]amino]-2-oxo-ethyl]benzamide N-[2-[methyl-[(E,1S)-1-(p-tolyls…

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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) 1.40 5.45 -23.29 2 8 0 113 457.552 9 ↓

Analogs

36537088
36537088
36537085
36537085
36537086
36537086

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[methyl-[(Z,1R)-1-(p-tolylsulfonylmethylcarbamoyl)but-2-enyl]amino]-2-oxo-ethyl]benzamide N-[2-[methyl-[(Z,1R)-1-(p-tolyls…

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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) 1.40 5.3 -21.9 2 8 0 113 457.552 9 ↓

Analogs

36537085
36537085
36537086
36537086
36537087
36537087

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[methyl-[(E,1R)-1-(p-tolylsulfonylmethylcarbamoyl)but-2-enyl]amino]-2-oxo-ethyl]benzamide N-[2-[methyl-[(E,1R)-1-(p-tolyls…

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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) 1.40 5.65 -21.85 2 8 0 113 457.552 9 ↓

Analogs

36537104
36537104

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[methyl-[(1S)-1-(p-tolylsulfonylmethylcarbamoyl)hexyl]amino]-2-oxo-ethyl]benzamide N-[2-[methyl-[(1S)-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) 2.95 7.46 -23.5 2 8 0 113 487.622 12 ↓

Analogs

36537103
36537103

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[methyl-[(1R)-1-(p-tolylsulfonylmethylcarbamoyl)hexyl]amino]-2-oxo-ethyl]benzamide N-[2-[methyl-[(1R)-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) 2.95 7.41 -21.68 2 8 0 113 487.622 12 ↓

Parameters Provided:

ring.id = 96336
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 = 96336 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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