UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

11914351
11914351
28290683
28290683

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Popular Name: 3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-amine 3-(3-methylthiophen-2-yl)-1,2,4-…

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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) 2.22 3.37 -8.36 2 3 0 52 197.288 1 ↓

Analogs

11914351
11914351
28290683
28290683

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Popular Name: 3-(4-bromo-2-thienyl)-1,2,4-thiadiazol-5-amine 3-(4-bromo-2-thienyl)-1,2,4-thia…

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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) 2.58 3.08 -7.51 2 3 0 52 262.157 1 ↓

Analogs

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Popular Name: 3-(5-chlorothiophen-2-yl)-1,2,4-thiadiazol-5-amine 3-(5-chlorothiophen-2-yl)-1,2,4-…

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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) 2.64 3.09 -6.38 2 3 0 52 217.706 1 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 2.26 3.73 -18.14 2 7 0 93 340.43 7 ↓

Parameters Provided:

ring.id = 109742
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 = 109742 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=109742&filter.purchasability=annotated

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