UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-cyclopropyl-4-[(2,5-dimethyl-3-thienyl)sulfonyl]piperazine 1-cyclopropyl-4-[(2,5-dimethyl-3…

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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) 1.54 5.89 -44.84 1 4 1 42 301.457 3 ↓
Mid Mid (pH 6-8) 1.54 3.69 -8.41 0 4 0 41 300.449 3 ↓

Analogs

37421127
37421127
35239279
35239279
37420978
37420978
36969673
36969673
35609601
35609601

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Popular Name: 5-bromo-4-(4-cyclopropylpiperazin-1-yl)sulfonyl-thiophene-2-carboxylic 5-bromo-4-(4-cyclopropylpiperazi…

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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) 1.84 5.64 -67.82 1 6 0 82 395.3 4 ↓
Mid Mid (pH 6-8) 1.84 3.44 -45.97 0 6 -1 81 394.292 4 ↓

Analogs

37326355
37326355
35215997
35215997
37326338
37326338
15424063
15424063

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Popular Name: 3-(4-cyclopropylpiperazin-1-yl)sulfonylthiophene-2-carboxylic 3-(4-cyclopropylpiperazin-1-yl)s…

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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) 0.91 5.9 -84.98 1 6 0 82 316.404 4 ↓
Mid Mid (pH 6-8) 0.91 3.68 -58.29 0 6 -1 81 315.396 4 ↓

Parameters Provided:

ring.id = 561186
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 = 561186 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=561186&filter.purchasability=annotated

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