UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 5-[(1,1-dioxothian-4-yl)sulfamoyl]-3-methyl-thiophene-2-carboxylic 5-[(1,1-dioxothian-4-yl)sulfamoy…

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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) 0.93 0.27 -54.82 1 7 -1 120 352.435 4 ↓

Analogs

37982268
37982268
37982269
37982269

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Popular Name: 5-[(1,1-dioxothian-4-yl)sulfamoyl]thiophene-3-carboxylic 5-[(1,1-dioxothian-4-yl)sulfamoy…

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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) 0.24 -0.43 -60.05 1 7 -1 120 338.408 4 ↓

Analogs

37982266
37982266
37982267
37982267

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Popular Name: 2-[5-[(1,1-dioxothian-4-yl)sulfamoyl]-2-thienyl]acetic 2-[5-[(1,1-dioxothian-4-yl)sulfa…

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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) 0.41 0.55 -54.74 1 7 -1 120 352.435 5 ↓

Analogs

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Popular Name: 5-(aminomethyl)-N-(1,1-dioxothian-4-yl)thiophene-2-sulfonamide 5-(aminomethyl)-N-(1,1-dioxothia…

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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) 0.17 -2.78 -67.18 4 6 1 108 325.457 4 ↓
Hi High (pH 8-9.5) 0.17 -3.17 -18.01 3 6 0 106 324.449 4 ↓

Analogs

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Popular Name: 5-(2-aminoethyl)-N-(1,1-dioxothian-4-yl)thiophene-2-sulfonamide 5-(2-aminoethyl)-N-(1,1-dioxothi…

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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) -0.03 -2.01 -66.78 4 6 1 108 339.484 5 ↓

Parameters Provided:

ring.id = 89298
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 = 89298 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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