UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-(2-fluorophenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide N-(2-fluorophenyl)-4-(2-oxopyrro…

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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) 2.18 -2.84 -14.65 1 5 0 66 334.372 4 ↓

Analogs

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Popular Name: N-[2-methyl-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]phenyl]propanamide N-[2-methyl-3-[[4-(2-oxopyrrolid…

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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) 2.48 6.16 -21.85 2 7 0 96 401.488 6 ↓
Hi High (pH 8-9.5) 2.48 6.23 -54.96 1 7 -1 98 400.48 6 ↓

Analogs

40176777
40176777
40176779
40176779
7708134
7708134

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Popular Name: 4-[methyl-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl-amino]benzenesulfonamide 4-[methyl-[4-(2-oxopyrrolidin-1-…

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) 1.00 1.77 -22.74 2 8 0 118 409.489 5 ↓

Parameters Provided:

ring.id = 70919
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 = 70919 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=70919&filter.purchasability=annotated

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