UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 5-chloro-N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-thiophene-2-sulfonamide 5-chloro-N-[(1-ethylimidazol-2-y…

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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) 1.94 6 -35.12 1 5 1 56 320.847 5 ↓
Hi High (pH 8-9.5) 1.94 5.1 -15.62 0 5 0 55 319.839 5 ↓

Analogs

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Popular Name: 5-bromo-N-[(1-methylimidazol-2-yl)methyl]thiophene-2-sulfonamide 5-bromo-N-[(1-methylimidazol-2-y…

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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) 1.45 3.03 -37.17 2 5 1 65 337.244 4 ↓
Hi High (pH 8-9.5) 1.45 2.57 -13.08 1 5 0 64 336.236 4 ↓

Analogs

36777612
36777612
37238530
37238530
37239059
37239059

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Popular Name: 3-methyl-5-[methyl-[(1-methylimidazol-2-yl)methyl]sulfamoyl]thiophene-2-carboxylic 3-methyl-5-[methyl-[(1-methylimi…

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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) 0.95 5.42 -66.28 1 7 0 97 329.403 5 ↓
Hi High (pH 8-9.5) 0.95 5.1 -53.84 0 7 -1 95 328.395 5 ↓

Parameters Provided:

ring.id = 435079
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 = 435079 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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