UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-(6-chloro-3-pyridyl)-2-methyl-pyrazolo[1,5-a]pyrimidine-3-carboxamide N-(6-chloro-3-pyridyl)-2-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) 1.56 4.61 -15.63 1 6 0 72 287.71 2 ↓

Analogs

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Popular Name: 6-(diethylaminomethyl)-N-(2,4,6-trimethyl-3-pyridyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide 6-(diethylaminomethyl)-N-(2,4,6-…

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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) 1.89 8.98 -56.13 2 7 1 77 367.477 6 ↓
Mid Mid (pH 6-8) 1.89 6.92 -16.3 1 7 0 75 366.469 6 ↓
Lo Low (pH 4.5-6) 1.89 9.37 -85.49 3 7 2 78 368.485 6 ↓

Analogs

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Popular Name: 6-(diethylaminomethyl)-N-(3-pyridyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide 6-(diethylaminomethyl)-N-(3-pyri…

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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) 0.86 6.75 -56.09 2 7 1 77 325.396 6 ↓
Mid Mid (pH 6-8) 0.86 4.7 -16.07 1 7 0 75 324.388 6 ↓

Analogs

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Popular Name: 6-(diethylaminomethyl)-N-(4-methyl-3-pyridyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide 6-(diethylaminomethyl)-N-(4-meth…

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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) 1.23 7.56 -57.95 2 7 1 77 339.423 6 ↓

Parameters Provided:

ring.id = 450647
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 = 450647 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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