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Analogs

25950994
25950994

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Popular Name: N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methyl-phenyl]-1H-indole-2-carboxamide N-[3-[(4-methoxyphenyl)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) 4.49 6.64 -25.79 3 7 0 100 435.505 6 ↓
Hi High (pH 8-9.5) 4.49 6.7 -60.78 2 7 -1 102 434.497 6 ↓

Analogs

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Popular Name: N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methyl-phenyl]-1H-indole-2-carboxamide N-[3-[(2-methoxyphenyl)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) 4.44 6.69 -18.2 3 7 0 100 435.505 6 ↓
Hi High (pH 8-9.5) 4.44 6.73 -49.36 2 7 -1 102 434.497 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(methyl-phenyl-sulfamoyl)phenyl]-1H-indole-2-carboxamide N-[3-(methyl-phenyl-sulfamoyl)ph…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 4.28 7.68 -14.32 2 6 0 82 405.479 5 ↓

Parameters Provided:

ring.id = 79831
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 = 79831 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=79831&filter.purchasability=annotated

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