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

Analogs

36536892
36536892

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Popular Name: N-[2-[[(1R)-1-(3-hydroxyphenyl)-2-oxo-2-(p-tolylsulfonylmethylamino)ethyl]-methyl-amino]-2-oxo-ethyl N-[2-[[(1R)-1-(3-hydroxyphenyl)-…

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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) 1.60 3.63 -20.39 3 9 0 133 509.584 9 ↓

Analogs

36536891
36536891

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Popular Name: N-[2-[[(1S)-1-(3-hydroxyphenyl)-2-oxo-2-(p-tolylsulfonylmethylamino)ethyl]-methyl-amino]-2-oxo-ethyl N-[2-[[(1S)-1-(3-hydroxyphenyl)-…

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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) 1.60 3.8 -24.05 3 9 0 133 509.584 9 ↓

Analogs

36536902
36536902

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Popular Name: N-[2-[[(1R)-1-(4-hydroxyphenyl)-2-oxo-2-(p-tolylsulfonylmethylamino)ethyl]-methyl-amino]-2-oxo-ethyl N-[2-[[(1R)-1-(4-hydroxyphenyl)-…

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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) 1.62 3.63 -20.97 3 9 0 133 509.584 9 ↓

Analogs

36536901
36536901

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Popular Name: N-[2-[[(1S)-1-(4-hydroxyphenyl)-2-oxo-2-(p-tolylsulfonylmethylamino)ethyl]-methyl-amino]-2-oxo-ethyl N-[2-[[(1S)-1-(4-hydroxyphenyl)-…

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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) 1.62 3.8 -23.68 3 9 0 133 509.584 9 ↓

Analogs

36536912
36536912

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Popular Name: N-[2-[[(1R)-1-(2,4-dimethylphenyl)-2-oxo-2-(p-tolylsulfonylmethylamino)ethyl]-methyl-amino]-2-oxo-et N-[2-[[(1R)-1-(2,4-dimethylpheny…

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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 7.77 -19.28 2 8 0 113 521.639 9 ↓

Analogs

36536911
36536911

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Popular Name: N-[2-[[(1S)-1-(2,4-dimethylphenyl)-2-oxo-2-(p-tolylsulfonylmethylamino)ethyl]-methyl-amino]-2-oxo-et N-[2-[[(1S)-1-(2,4-dimethylpheny…

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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 7.9 -21.42 2 8 0 113 521.639 9 ↓

Analogs

36536922
36536922

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Popular Name: N-[2-[[(1R)-1-(3-methoxyphenyl)-2-oxo-2-(p-tolylsulfonylmethylamino)ethyl]-methyl-amino]-2-oxo-ethyl N-[2-[[(1R)-1-(3-methoxyphenyl)-…

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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) 2.13 5.78 -20.45 2 9 0 122 523.611 10 ↓

Analogs

36536921
36536921

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Popular Name: N-[2-[[(1S)-1-(3-methoxyphenyl)-2-oxo-2-(p-tolylsulfonylmethylamino)ethyl]-methyl-amino]-2-oxo-ethyl N-[2-[[(1S)-1-(3-methoxyphenyl)-…

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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) 2.13 5.96 -23.72 2 9 0 122 523.611 10 ↓

Analogs

36536964
36536964

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Popular Name: N-[2-[methyl-[(1R)-1-(o-tolyl)-2-oxo-2-(p-tolylsulfonylmethylamino)ethyl]amino]-2-oxo-ethyl]benzamid N-[2-[methyl-[(1R)-1-(o-tolyl)-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) 2.50 7.11 -19.43 2 8 0 113 507.612 9 ↓

Analogs

36536963
36536963

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Popular Name: N-[2-[methyl-[(1S)-1-(o-tolyl)-2-oxo-2-(p-tolylsulfonylmethylamino)ethyl]amino]-2-oxo-ethyl]benzamid N-[2-[methyl-[(1S)-1-(o-tolyl)-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) 2.50 7.23 -21.53 2 8 0 113 507.612 9 ↓

Analogs

36536974
36536974

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Popular Name: N-[2-[[(1R)-1-(2-hydroxyphenyl)-2-oxo-2-(p-tolylsulfonylmethylamino)ethyl]-methyl-amino]-2-oxo-ethyl N-[2-[[(1R)-1-(2-hydroxyphenyl)-…

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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) 2.04 3.78 -21.26 3 9 0 133 509.584 9 ↓

Analogs

36536973
36536973

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Popular Name: N-[2-[[(1S)-1-(2-hydroxyphenyl)-2-oxo-2-(p-tolylsulfonylmethylamino)ethyl]-methyl-amino]-2-oxo-ethyl N-[2-[[(1S)-1-(2-hydroxyphenyl)-…

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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) 2.04 4.37 -23.59 3 9 0 133 509.584 9 ↓

Analogs

36537022
36537022
36537139
36537139
36537140
36537140

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[methyl-[(1R)-2-oxo-1-phenyl-2-(p-tolylsulfonylmethylamino)ethyl]amino]-2-oxo-ethyl]benzamide N-[2-[methyl-[(1R)-2-oxo-1-pheny…

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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) 2.10 6.49 -19.99 2 8 0 113 493.585 9 ↓

Analogs

36537139
36537139
36537140
36537140
36537021
36537021

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[methyl-[(1S)-2-oxo-1-phenyl-2-(p-tolylsulfonylmethylamino)ethyl]amino]-2-oxo-ethyl]benzamide N-[2-[methyl-[(1S)-2-oxo-1-pheny…

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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) 2.10 6.66 -22.35 2 8 0 113 493.585 9 ↓

Analogs

36537114
36537114

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[[(1R)-1-(4-methoxyphenyl)-2-oxo-2-(p-tolylsulfonylmethylamino)ethyl]-methyl-amino]-2-oxo-ethyl N-[2-[[(1R)-1-(4-methoxyphenyl)-…

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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) 2.16 5.78 -21.07 2 9 0 122 523.611 10 ↓

Analogs

36537113
36537113

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Popular Name: N-[2-[[(1S)-1-(4-methoxyphenyl)-2-oxo-2-(p-tolylsulfonylmethylamino)ethyl]-methyl-amino]-2-oxo-ethyl N-[2-[[(1S)-1-(4-methoxyphenyl)-…

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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) 2.16 5.96 -23.34 2 9 0 122 523.611 10 ↓

Analogs

36537140
36537140
36537021
36537021
36537022
36537022

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[methyl-[(1S)-2-oxo-1-(p-tolyl)-2-(p-tolylsulfonylmethylamino)ethyl]amino]-2-oxo-ethyl]benzamid N-[2-[methyl-[(1S)-2-oxo-1-(p-to…

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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) 2.55 7.33 -22.23 2 8 0 113 507.612 9 ↓

Analogs

36537021
36537021
36537022
36537022
36537139
36537139

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[methyl-[(1R)-2-oxo-1-(p-tolyl)-2-(p-tolylsulfonylmethylamino)ethyl]amino]-2-oxo-ethyl]benzamid N-[2-[methyl-[(1R)-2-oxo-1-(p-to…

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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) 2.55 7.16 -19.88 2 8 0 113 507.612 9 ↓

Parameters Provided:

ring.id = 96295
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 = 96295 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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