UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-cyclopropyl-4-(cyclopropylsulfamoyl)pyrrole-2-carboxylic 1-cyclopropyl-4-(cyclopropylsulf…

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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) 0.46 3.69 -54.05 1 6 -1 91 269.302 5 ↓

Analogs

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Popular Name: 1-cyclopropyl-4-[cyclopropyl(methyl)sulfamoyl]pyrrole-2-carboxylic 1-cyclopropyl-4-[cyclopropyl(met…

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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) 0.70 5.34 -53.76 0 6 -1 82 283.329 5 ↓

Analogs

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Popular Name: 1-cyclopropyl-4-[cyclopropyl(propyl)sulfamoyl]pyrrole-2-carboxylic 1-cyclopropyl-4-[cyclopropyl(pro…

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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) 1.58 6.88 -53.74 0 6 -1 82 311.383 7 ↓

Analogs

37836717
37836717
37836777
37836777
37836870
37836870
37836872
37836872
37837460
37837460

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Popular Name: 1-cyclopropyl-4-[cyclopropyl(2-hydroxyethyl)sulfamoyl]pyrrole-2-carboxylic 1-cyclopropyl-4-[cyclopropyl(2-h…

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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) 0.07 3.21 -55.78 1 7 -1 103 313.355 7 ↓

Parameters Provided:

ring.id = 113142
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 = 113142 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=113142&filter.purchasability=annotated

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