UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (4R)-N,N-dimethyl-3-[2-(4-oxothiazolidin-3-yl)acetyl]thiazolidine-4-carboxamide (4R)-N,N-dimethyl-3-[2-(4-oxothi…

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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) -1.34 3.82 -22.02 0 6 0 61 303.409 3 ↓

Analogs

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Popular Name: (4S)-N,N-dimethyl-3-[2-(4-oxothiazolidin-3-yl)acetyl]thiazolidine-4-carboxamide (4S)-N,N-dimethyl-3-[2-(4-oxothi…

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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) -1.34 4.96 -19.81 0 6 0 61 303.409 3 ↓

Analogs

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Popular Name: (4R)-N-tert-butyl-3-[2-(4-oxothiazolidin-3-yl)acetyl]thiazolidine-4-carboxamide (4R)-N-tert-butyl-3-[2-(4-oxothi…

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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 5.2 -20.93 1 6 0 70 331.463 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-tert-butyl-3-[2-(4-oxothiazolidin-3-yl)acetyl]thiazolidine-4-carboxamide (4S)-N-tert-butyl-3-[2-(4-oxothi…

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) 0.04 5.37 -17.71 1 6 0 70 331.463 4 ↓

Parameters Provided:

ring.id = 316705
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 = 316705 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=316705&filter.purchasability=annotated

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