UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

42003549
42003549

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Popular Name: N-[2-(4-acetylpiperazin-1-yl)ethyl]-4-ethyl-thiadiazole-5-carboxamide N-[2-(4-acetylpiperazin-1-yl)eth…

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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) 0.04 1.26 -14.13 1 7 0 78 311.411 5 ↓
Mid Mid (pH 6-8) 0.04 3.43 -58.3 2 7 1 80 312.419 5 ↓

Analogs

45852909
45852909

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Popular Name: 4-ethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]thiadiazole-5-carboxamide 4-ethyl-N-[2-(4-methylpiperazin-…

Find On: PubMed — Wikipedia — Google

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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) 0.68 2.22 -40.62 2 6 1 63 284.409 5 ↓
Hi High (pH 8-9.5) 0.68 -0.15 -6.96 1 6 0 61 283.401 5 ↓

Parameters Provided:

ring.id = 17392
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 = 17392 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=17392&filter.purchasability=annotated

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