UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-fluoro-4,5-dimethoxy-N-phenethyl-N-phenyl-benzenesulfonamide 2-fluoro-4,5-dimethoxy-N-pheneth…

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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) 4.49 9.37 -11.67 0 5 0 56 415.486 8 ↓

Analogs

6397535
6397535

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Popular Name: 3-cyano-N-phenethyl-N-phenyl-benzenesulfonamide 3-cyano-N-phenethyl-N-phenyl-ben…

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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) 4.48 10.63 -12.75 0 4 0 61 362.454 6 ↓

Analogs

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Popular Name: 2-fluoro-4-(methanesulfonamido)-N-phenethyl-N-phenyl-benzenesulfonamide 2-fluoro-4-(methanesulfonamido)-…

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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) 4.08 6.94 -42.74 0 6 -1 86 447.533 8 ↓

Analogs

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Popular Name: 3-[4-[phenethyl(phenyl)sulfamoyl]phenyl]propanoic 3-[4-[phenethyl(phenyl)sulfamoyl…

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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 12.38 -48.73 0 5 -1 78 408.499 9 ↓
Lo Low (pH 4.5-6) 4.70 10.4 -14 1 5 0 75 409.507 9 ↓

Parameters Provided:

ring.id = 178077
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 = 178077 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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