UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

36163026
36163026
6900314
6900314

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Popular Name: 6-(4-cyclohexylpiperazin-1-yl)sulfonyl-7-methyl-1,4-dihydroquinoxaline-2,3-dione 6-(4-cyclohexylpiperazin-1-yl)su…

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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) 1.20 2.45 -14.82 2 8 0 106 406.508 3 ↓
Hi High (pH 8-9.5) 2.10 0.31 -52.36 1 8 -1 109 405.5 3 ↓
Mid Mid (pH 6-8) 2.06 4.9 -204.23 3 8 3 104 407.516 3 ↓

Analogs

36163023
36163023

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Popular Name: 6-(4-cyclohexylpiperazin-1-yl)sulfonyl-1,4,7-trimethyl-quinoxaline-2,3-dione 6-(4-cyclohexylpiperazin-1-yl)su…

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) 2.23 5.84 -15.79 0 8 0 85 434.562 3 ↓

Parameters Provided:

ring.id = 80220
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 = 80220 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=80220&filter.purchasability=annotated

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