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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: [4-(4-chlorophenyl)piperazin-1-yl]-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone [4-(4-chlorophenyl)piperazin-1-y…

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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) 2.62 9.92 -16.07 0 6 0 54 383.883 2 ↓

Analogs

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Popular Name: 5-methyl-3-[4-(m-tolyl)piperazine-1-carbonyl]-4H-pyrazolo[1,5-a]pyrimidin-7-one 5-methyl-3-[4-(m-tolyl)piperazin…

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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) 1.82 6.16 -47.92 0 7 -1 77 350.402 2 ↓
Mid Mid (pH 6-8) 1.37 7.56 -18.5 1 7 0 74 351.41 2 ↓

Analogs

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Popular Name: 3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-5-methyl-4H-pyrazolo[1,5-a]pyrimidin-7-one 3-[4-(2,3-dimethylphenyl)piperaz…

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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) 2.20 7.54 -48.06 0 7 -1 77 364.429 2 ↓
Mid Mid (pH 6-8) 1.75 8.86 -17.22 1 7 0 74 365.437 2 ↓
Mid Mid (pH 6-8) 2.20 7.39 -62.72 1 7 0 78 365.437 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-methyl-3-[4-(o-tolyl)piperazine-1-carbonyl]-4H-pyrazolo[1,5-a]pyrimidin-7-one 5-methyl-3-[4-(o-tolyl)piperazin…

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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) 1.80 7 -47.95 0 7 -1 77 350.402 2 ↓
Mid Mid (pH 6-8) 1.80 6.84 -62.87 1 7 0 78 351.41 2 ↓
Mid Mid (pH 6-8) 1.34 8.32 -17.16 1 7 0 74 351.41 2 ↓

Parameters Provided:

ring.id = 176704
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 = 176704 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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