UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-cyclopropyl-N-(2-hydroxyethyl)-5,7-dimethyl-pyrazolo[1,5-a]pyrimidine-3-carboxamide N-cyclopropyl-N-(2-hydroxyethyl)…

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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) -0.14 3.4 -19.52 1 6 0 71 274.324 4 ↓

Analogs

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Popular Name: 7-tert-butyl-N-cyclopropyl-pyrazolo[1,5-a]pyrimidine-3-carboxamide 7-tert-butyl-N-cyclopropyl-pyraz…

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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) 2.00 5.89 -16.32 1 5 0 59 258.325 3 ↓

Analogs

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

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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) 0.60 6.5 -54.34 2 6 1 64 288.375 6 ↓
Mid Mid (pH 6-8) 0.60 4.45 -15.31 1 6 0 63 287.367 6 ↓

Analogs

44226832
44226832
44226837
44226837

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Popular Name: N-cyclopropyl-N-methyl-pyrazolo[1,5-a]pyrimidine-3-carboxamide N-cyclopropyl-N-methyl-pyrazolo[…

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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) -0.17 4.75 -18.47 0 5 0 51 216.244 2 ↓

Parameters Provided:

ring.id = 63762
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 = 63762 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=63762&filter.purchasability=annotated

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