UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 6-(diethylaminomethyl)-N-[(4R)-2,2-dimethyltetrahydropyran-4-yl]-N-ethyl-pyrazolo[1,5-a]pyrimidine-3 6-(diethylaminomethyl)-N-[(4R)-2…

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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 9.6 -54.46 1 7 1 64 388.536 7 ↓
Mid Mid (pH 6-8) 1.56 7.55 -16.53 0 7 0 63 387.528 7 ↓

Analogs

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Popular Name: 6-(diethylaminomethyl)-N-[(4S)-2,2-dimethyltetrahydropyran-4-yl]-N-ethyl-pyrazolo[1,5-a]pyrimidine-3 6-(diethylaminomethyl)-N-[(4S)-2…

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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 9.6 -54.51 1 7 1 64 388.536 7 ↓
Mid Mid (pH 6-8) 1.56 7.54 -16.62 0 7 0 63 387.528 7 ↓

Analogs

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Popular Name: 6-(diethylaminomethyl)-N-tetrahydropyran-4-yl-pyrazolo[1,5-a]pyrimidine-3-carboxamide 6-(diethylaminomethyl)-N-tetrahy…

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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 5.94 -54.64 2 7 1 73 332.428 6 ↓
Mid Mid (pH 6-8) 0.60 3.89 -15.51 1 7 0 72 331.42 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(diethylaminomethyl)-N-methyl-N-tetrahydropyran-4-yl-pyrazolo[1,5-a]pyrimidine-3-carboxamide 6-(diethylaminomethyl)-N-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) 0.38 7.32 -55 1 7 1 64 346.455 6 ↓
Mid Mid (pH 6-8) 0.38 5.16 -15.21 0 7 0 63 345.447 6 ↓

Parameters Provided:

ring.id = 586137
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 = 586137 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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