UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

16680045
16680045

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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) 0.52 -8.13 -25.21 0 10 0 121 431.492 5 ↓

Analogs

13725421
13725421
16679845
16679845
16679847
16679847
16700640
16700640
16700642
16700642

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Popular Name: (4S)-2-[4-(4-acetylpiperazin-1-yl)sulfonyl-3-methyl-phenyl]-4-methyl-1,1-dioxo-1,2-thiazolidin-3-one (4S)-2-[4-(4-acetylpiperazin-1-y…

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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) 0.29 1.86 -26.62 0 9 0 112 429.52 3 ↓

Analogs

13725421
13725421
16679845
16679845
16679847
16679847
16700640
16700640
16700642
16700642

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-2-[4-(4-acetylpiperazin-1-yl)sulfonyl-3-methyl-phenyl]-4-methyl-1,1-dioxo-1,2-thiazolidin-3-one (4R)-2-[4-(4-acetylpiperazin-1-y…

Find On: PubMed — Wikipedia — Google

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) 0.29 1.92 -25.25 0 9 0 112 429.52 3 ↓

Parameters Provided:

ring.id = 68403
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 = 68403 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=68403&filter.purchasability=annotated

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