UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

39937161
39937161
39937163
39937163

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Popular Name: (5S)-5-[[4-[2-[methyl-(4-methyl-2-pyridyl)amino]ethoxy]phenyl]methyl]thiazolidine-2,4-dione (5S)-5-[[4-[2-[methyl-(4-methyl-…

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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) 2.75 7.93 -34.96 2 6 1 73 372.47 7 ↓
Hi High (pH 8-9.5) 2.75 7.57 -12.33 1 6 0 72 371.462 7 ↓

Analogs

39937163
39937163

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-5-[[4-[2-[methyl-(4-methyl-2-pyridyl)amino]ethoxy]phenyl]methyl]thiazolidine-2,4-dione (5R)-5-[[4-[2-[methyl-(4-methyl-…

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) 2.75 7.91 -34.76 2 6 1 73 372.47 7 ↓
Hi High (pH 8-9.5) 2.75 7.55 -12.1 1 6 0 72 371.462 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-5-[[4-[2-[(5-amino-2-pyridyl)-methyl-amino]ethoxy]phenyl]methyl]thiazolidine-2,4-dione (5S)-5-[[4-[2-[(5-amino-2-pyridy…

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) 2.00 4.94 -13.72 3 7 0 98 372.45 7 ↓
Mid Mid (pH 6-8) 2.00 5.22 -35.04 4 7 1 99 373.458 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-5-[[4-[2-[(5-amino-2-pyridyl)-methyl-amino]ethoxy]phenyl]methyl]thiazolidine-2,4-dione (5R)-5-[[4-[2-[(5-amino-2-pyridy…

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) 2.00 4.91 -13.53 3 7 0 98 372.45 7 ↓
Mid Mid (pH 6-8) 2.00 5.19 -34.7 4 7 1 99 373.458 7 ↓

Parameters Provided:

ring.id = 11431
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 = 11431 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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