UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

1013838
1013838

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Popular Name: (5R)-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-phenyl-thiazolidine-2,4-dione (5R)-5-[2-oxo-2-(4-phenylpiperaz…

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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) 2.81 9.72 -12.58 0 6 0 61 395.484 4 ↓

Analogs

1013838
1013838

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Popular Name: (5S)-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-phenyl-thiazolidine-2,4-dione (5S)-5-[2-oxo-2-(4-phenylpiperaz…

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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) 2.81 9.72 -12.79 0 6 0 61 395.484 4 ↓

Analogs

12289132
12289132
12289120
12289120
12289121
12289121

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Popular Name: (5S)-5-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxo-ethyl]-3-phenyl-thiazolidine-2,4-dione (5S)-5-[2-[4-(2-fluorophenyl)pip…

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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) 2.93 10.23 -12.75 0 6 0 61 413.474 4 ↓

Analogs

12289132
12289132
12289120
12289120
12289121
12289121

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-5-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxo-ethyl]-3-phenyl-thiazolidine-2,4-dione (5R)-5-[2-[4-(2-fluorophenyl)pip…

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) 2.93 10.24 -12.5 0 6 0 61 413.474 4 ↓

Parameters Provided:

ring.id = 101051
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 = 101051 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=101051&filter.purchasability=annotated

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