UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)pyridine-4-carboxylic 2-(imidazo[1,2-a]pyrimidin-2-ylm…

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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) 1.77 9.39 -58.83 0 6 -1 83 285.308 4 ↓

Analogs

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Popular Name: 2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)pyridin-3-amine 2-(imidazo[1,2-a]pyrimidin-2-ylm…

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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 6.78 -18.02 2 5 0 69 257.322 3 ↓

Analogs

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Popular Name: 6-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)pyridin-3-amine 6-(imidazo[1,2-a]pyrimidin-2-ylm…

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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) 1.56 6.71 -18.28 2 5 0 69 257.322 3 ↓

Analogs

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Popular Name: 2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]pyridin-3-amine 2-[(5,7-dimethylimidazo[1,2-a]py…

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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) 2.01 7.92 -17.68 2 5 0 69 285.376 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]pyridin-3-amine 6-[(5,7-dimethylimidazo[1,2-a]py…

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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) 2.22 7.85 -18.01 2 5 0 69 285.376 3 ↓

Analogs

16386041
16386041

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)pyridine-3-carboxylic 6-(imidazo[1,2-a]pyrimidin-2-ylm…

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) 1.49 9.38 -57.25 0 6 -1 83 285.308 4 ↓

Parameters Provided:

ring.id = 168192
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 = 168192 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=168192&filter.purchasability=annotated

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