UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (2R)-2-(2,6-dichlorophenyl)-3-(6-methyl-2-pyridyl)thiazolidine-4-thione (2R)-2-(2,6-dichlorophenyl)-3-(6…

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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) 3.92 11.65 -9.68 0 2 0 16 355.315 2 ↓

Analogs

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Popular Name: (2S)-2-(2,6-dichlorophenyl)-3-(6-methyl-2-pyridyl)thiazolidine-4-thione (2S)-2-(2,6-dichlorophenyl)-3-(6…

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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) 3.92 10.96 -9.59 0 2 0 16 355.315 2 ↓

Analogs

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Popular Name: (2R)-2-(2,6-difluorophenyl)-3-(6-methyl-2-pyridyl)thiazolidine-4-thione (2R)-2-(2,6-difluorophenyl)-3-(6…

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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) 2.89 10.98 -11.48 0 2 0 16 322.405 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(2,6-difluorophenyl)-3-(6-methyl-2-pyridyl)thiazolidine-4-thione (2S)-2-(2,6-difluorophenyl)-3-(6…

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) 2.89 9.91 -11.67 0 2 0 16 322.405 2 ↓

Analogs

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Popular Name: (2R)-2-(2,6-difluorophenyl)-3-(4-methyl-2-pyridyl)thiazolidine-4-thione (2R)-2-(2,6-difluorophenyl)-3-(4…

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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) 3.23 11.07 -11.42 0 2 0 16 322.405 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(2,6-difluorophenyl)-3-(4-methyl-2-pyridyl)thiazolidine-4-thione (2S)-2-(2,6-difluorophenyl)-3-(4…

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) 3.23 9.97 -11.28 0 2 0 16 322.405 2 ↓

Parameters Provided:

ring.id = 12341
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 = 12341 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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