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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: 3-amino-N-quinoxalin-6-yl-benzenesulfonamide 3-amino-N-quinoxalin-6-yl-benzen…

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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) 1.53 0.77 -48.94 2 6 -1 100 299.335 3 ↓
Mid Mid (pH 6-8) 1.53 0.64 -12.83 3 6 0 98 300.343 3 ↓

Analogs

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Popular Name: 2-amino-N-quinoxalin-6-yl-benzenesulfonamide 2-amino-N-quinoxalin-6-yl-benzen…

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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 0.67 -14.11 3 6 0 98 300.343 3 ↓
Mid Mid (pH 6-8) 1.91 1.13 -46.66 2 6 -1 100 299.335 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-bromo-N-quinoxalin-6-yl-benzenesulfonamide 2-bromo-N-quinoxalin-6-yl-benzen…

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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) 3.24 3.59 -47.37 0 5 -1 74 363.216 3 ↓
Lo Low (pH 4.5-6) 3.24 3.57 -11.88 1 5 0 72 364.224 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-N-quinoxalin-6-yl-benzenesulfonamide 4-bromo-N-quinoxalin-6-yl-benzen…

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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) 3.29 3.52 -42.15 0 5 -1 74 363.216 3 ↓
Lo Low (pH 4.5-6) 3.29 3.39 -11.19 1 5 0 72 364.224 3 ↓

Parameters Provided:

ring.id = 508980
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 = 508980 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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