UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

34979306
34979306
34979309
34979309
34979311
34979311
34979314
34979314
25380715
25380715

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Popular Name: 4-methoxy-N-[(1S)-3-methyl-1-(pyrrolidine-1-carbonyl)butyl]benzenesulfonamide 4-methoxy-N-[(1S)-3-methyl-1-(py…

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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) 2.46 4.27 -13.13 1 6 0 76 354.472 7 ↓

Analogs

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Popular Name: 2,6-dibromo-4-fluoro-N-(2-oxo-2-pyrrolidin-1-yl-ethyl)benzenesulfonamide 2,6-dibromo-4-fluoro-N-(2-oxo-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) 2.40 3.92 -10.61 1 5 0 66 444.12 4 ↓
Hi High (pH 8-9.5) 2.40 3.66 -42.82 0 5 -1 69 443.112 4 ↓

Analogs

41247409
41247409

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Popular Name: 4-fluoro-2-methyl-N-[(1R)-1-methyl-2-oxo-2-pyrrolidin-1-yl-ethyl]benzenesulfonamide 4-fluoro-2-methyl-N-[(1R)-1-meth…

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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) 1.63 3.76 -12.36 1 5 0 66 314.382 4 ↓

Analogs

41247391
41247391

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Popular Name: 2,5-dimethyl-N-[(1R)-1-methyl-2-oxo-2-pyrrolidin-1-yl-ethyl]benzenesulfonamide 2,5-dimethyl-N-[(1R)-1-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) 1.92 4.29 -13.14 1 5 0 66 310.419 4 ↓

Analogs

41247394
41247394

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Popular Name: 4-ethyl-N-[(1R)-1-methyl-2-oxo-2-pyrrolidin-1-yl-ethyl]benzenesulfonamide 4-ethyl-N-[(1R)-1-methyl-2-oxo-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) 2.00 4.21 -13.61 1 5 0 66 310.419 5 ↓

Analogs

36780736
36780736
4359283
4359283

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Popular Name: 4-chloro-N-(pyrrolidin-1-ylcarbonylmethyl)benzenesulfonamide 4-chloro-N-(pyrrolidin-1-ylcarbo…

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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) 1.44 -5.73 -13.44 1 5 0 66 302.783 4 ↓

Analogs

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Popular Name: 2,4-dibromo-N-methyl-N-(2-oxo-2-pyrrolidin-1-yl-ethyl)benzenesulfonamide 2,4-dibromo-N-methyl-N-(2-oxo-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) 2.55 5.29 -15.51 0 5 0 58 440.157 4 ↓

Analogs

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Popular Name: 2-bromo-4-fluoro-N-methyl-N-(2-oxo-2-pyrrolidin-1-yl-ethyl)benzenesulfonamide 2-bromo-4-fluoro-N-methyl-N-(2-o…

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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 4.75 -15.74 0 5 0 58 379.251 4 ↓

Analogs

56693531
56693531

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Popular Name: 2,5-dimethyl-N-[(1S)-1-methyl-2-oxo-2-pyrrolidin-1-yl-ethyl]benzenesulfonamide 2,5-dimethyl-N-[(1S)-1-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) 1.92 4.36 -11.92 1 5 0 66 310.419 4 ↓

Analogs

56696291
56696291

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Popular Name: 4-ethyl-N-[(1S)-1-methyl-2-oxo-2-pyrrolidin-1-yl-ethyl]benzenesulfonamide 4-ethyl-N-[(1S)-1-methyl-2-oxo-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) 2.00 4.25 -13.06 1 5 0 66 310.419 5 ↓

Analogs

56677868
56677868

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Popular Name: 4-fluoro-2-methyl-N-[(1S)-1-methyl-2-oxo-2-pyrrolidin-1-yl-ethyl]benzenesulfonamide 4-fluoro-2-methyl-N-[(1S)-1-meth…

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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) 1.63 3.85 -11 1 5 0 66 314.382 4 ↓

Analogs

49470378
49470378

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Popular Name: 3-methyl-N-[(1S)-1-methyl-2-oxo-2-pyrrolidin-1-yl-ethyl]benzenesulfonamide 3-methyl-N-[(1S)-1-methyl-2-oxo-…

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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) 1.51 3.47 -13.38 1 5 0 66 296.392 4 ↓

Analogs

46466940
46466940

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Popular Name: 3-chloro-N-[(1S)-1-methyl-2-oxo-2-pyrrolidin-1-yl-ethyl]benzenesulfonamide 3-chloro-N-[(1S)-1-methyl-2-oxo-…

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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) 1.74 3.33 -14.27 1 5 0 66 316.81 4 ↓

Analogs

49470374
49470374

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-[(1S)-1-methyl-2-oxo-2-pyrrolidin-1-yl-ethyl]benzenesulfonamide 2-chloro-N-[(1S)-1-methyl-2-oxo-…

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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) 1.72 3.42 -14.67 1 5 0 66 316.81 4 ↓

Analogs

41777821
41777821

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Popular Name: 2-fluoro-N-[(1S)-3-methylsulfanyl-1-(pyrrolidine-1-carbonyl)propyl]benzenesulfonamide 2-fluoro-N-[(1S)-3-methylsulfany…

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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) 1.66 4.67 -12.94 1 5 0 66 360.476 7 ↓

Analogs

41777819
41777819

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Popular Name: 2-fluoro-N-[(1R)-3-methylsulfanyl-1-(pyrrolidine-1-carbonyl)propyl]benzenesulfonamide 2-fluoro-N-[(1R)-3-methylsulfany…

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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) 1.66 4.99 -15.37 1 5 0 66 360.476 7 ↓

Analogs

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Popular Name: 2,3,4-trifluoro-N-(2-oxo-2-pyrrolidin-1-yl-ethyl)benzenesulfonamide 2,3,4-trifluoro-N-(2-oxo-2-pyrro…

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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) 1.11 2.25 -12.25 1 5 0 66 322.308 4 ↓
Hi High (pH 8-9.5) 1.11 2.18 -47.26 0 5 -1 69 321.3 4 ↓

Parameters Provided:

ring.id = 137070
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 = 137070 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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