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

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: isobutylsulfanyl-(p-tolyl)BLAHone isobutylsulfanyl-(p-tolyl)BLAHone

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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) 6.26 0.69 -10.16 0 3 0 34 398.597 4 ↓

Analogs

22145358
22145358
22145360
22145360
3368835
3368835
3368837
3368837

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Popular Name: acetonylsulfanyl-(3-methoxyphenyl)BLAHone acetonylsulfanyl-(3-methoxypheny…

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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) 4.47 11.4 -15.63 0 5 0 61 414.552 5 ↓

Analogs

20894868
20894868
3468750
3468750
3468754
3468754

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(methylcarbamoyl)-2-(o-tolyl-oxo-BLAHyl)sulfanyl-propanamide (2R)-N-(methylcarbamoyl)-2-(o-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) 4.42 11.78 -28.07 2 7 0 93 470.62 4 ↓

Analogs

3468750
3468750
3468754
3468754

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(methylcarbamoyl)-2-(o-tolyl-oxo-BLAHyl)sulfanyl-propanamide (2S)-N-(methylcarbamoyl)-2-(o-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) 4.42 11.79 -28.12 2 7 0 93 470.62 4 ↓

Analogs

20894873
20894873
3425990
3425990
3425992
3425992

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-carbamoyl-2-(o-tolyl-oxo-BLAHyl)sulfanyl-propanamide (2R)-N-carbamoyl-2-(o-tolyl-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) 4.04 10.36 -28.09 3 7 0 107 456.593 4 ↓

Analogs

3425990
3425990
3425992
3425992
20894871
20894871

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-carbamoyl-2-(o-tolyl-oxo-BLAHyl)sulfanyl-propanamide (2S)-N-carbamoyl-2-(o-tolyl-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) 4.04 10.37 -28.16 3 7 0 107 456.593 4 ↓

Analogs

3425974
3425974
3425978
3425978
3425979
3425979

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[keto(phenyl)BLAHyl]thio]-N,N-dimethyl-acetamide 2-[[keto(phenyl)BLAHyl]thio]-N,N…

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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) 3.59 -0.57 -14.82 0 5 0 55 413.568 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methylsulfonylethylsulfanyl(o-tolyl)BLAHone 2-methylsulfonylethylsulfanyl(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) 4.70 10.63 -22.84 0 5 0 69 448.635 5 ↓

Parameters Provided:

ring.id = 3459
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 = 3459 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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