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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

37836535
37836535
37836536
37836536
37837816
37837816
155304
155304
20283609
20283609

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[cyclopentyl(methyl)sulfamoyl]furan-2-carboxylic 5-[cyclopentyl(methyl)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) 1.77 4.12 -48.68 0 6 -1 91 272.302 4 ↓

Analogs

37507511
37507511
37507510
37507510
20593457
20593457
20593458
20593458

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2-amino-2-oxo-ethyl)-cyclopentyl-sulfamoyl]furan-2-carboxylic 5-[(2-amino-2-oxo-ethyl)-cyclope…

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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) 0.50 1.04 -52.77 2 8 -1 134 315.327 6 ↓

Analogs

35765770
35765770
34972448
34972448
34972457
34972457
34972459
34972459
34972461
34972461

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[allyl(cyclopentyl)sulfamoyl]furan-2-carboxylic 5-[allyl(cyclopentyl)sulfamoyl]f…

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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) 2.41 5.3 -48.64 0 6 -1 91 298.34 6 ↓

Parameters Provided:

ring.id = 139831
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 = 139831 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=139831&filter.purchasability=annotated

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