UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (2R,4R)-2-pyrimidin-4-ylthiazolidine-4-carboxylic (2R,4R)-2-pyrimidin-4-ylthiazoli…

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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) -1.86 2.86 -42.41 1 5 -1 78 210.238 2 ↓
Lo Low (pH 4.5-6) -1.86 4.1 -29.38 2 5 0 83 211.246 2 ↓

Analogs

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Popular Name: (2S,4R)-2-pyrimidin-4-ylthiazolidine-4-carboxylic (2S,4R)-2-pyrimidin-4-ylthiazoli…

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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) -1.86 2.85 -41.51 1 5 -1 78 210.238 2 ↓
Lo Low (pH 4.5-6) -1.86 4.07 -26.06 2 5 0 83 211.246 2 ↓

Analogs

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Popular Name: (2R,4S)-2-pyrimidin-4-ylthiazolidine-4-carboxylic (2R,4S)-2-pyrimidin-4-ylthiazoli…

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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) -1.86 3.14 -44.07 1 5 -1 78 210.238 2 ↓
Lo Low (pH 4.5-6) -1.86 4.17 -26.94 2 5 0 83 211.246 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-2-pyrimidin-4-ylthiazolidine-4-carboxylic (2S,4S)-2-pyrimidin-4-ylthiazoli…

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) -1.86 2.92 -44.63 1 5 -1 78 210.238 2 ↓
Lo Low (pH 4.5-6) -1.86 4.02 -29.85 2 5 0 83 211.246 2 ↓

Parameters Provided:

ring.id = 363907
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 = 363907 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=363907&filter.purchasability=annotated

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