UCSF
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Analogs

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Popular Name: 2-(benzylcarbamoylamino)-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide 2-(benzylcarbamoylamino)-N-[3-[(…

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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) 3.12 3.51 -19.56 4 9 0 126 468.535 9 ↓
Hi High (pH 8-9.5) 3.12 3.58 -48.71 3 9 -1 128 467.527 9 ↓

Analogs

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Popular Name: 2-[(4-fluorophenyl)methylcarbamoylamino]-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide 2-[(4-fluorophenyl)methylcarbamo…

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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) 3.28 3.57 -20.24 4 9 0 126 486.525 9 ↓
Hi High (pH 8-9.5) 3.28 3.65 -49.12 3 9 -1 128 485.517 9 ↓

Analogs

25394507
25394507

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Popular Name: 2-(benzylcarbamoylamino)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methyl-phenyl]acetamide 2-(benzylcarbamoylamino)-N-[3-[(…

Find On: PubMed — Wikipedia — Google

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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) 3.47 4.52 -18.62 4 9 0 126 482.562 9 ↓
Hi High (pH 8-9.5) 3.47 4.56 -50.73 3 9 -1 128 481.554 9 ↓

Parameters Provided:

ring.id = 101125
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 = 101125 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=101125&filter.purchasability=annotated

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