UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: [4-[(4-chlorophenyl)methyl]piperazin-1-yl]-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)methanone [4-[(4-chlorophenyl)methyl]piper…

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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) 1.93 8.08 -10.12 0 6 0 54 383.883 3 ↓
Mid Mid (pH 6-8) 1.93 10.42 -57.88 1 6 1 55 384.891 3 ↓

Analogs

25387054
25387054
25387155
25387155
25387372
25387372
25387752
25387752
25387808
25387808

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Popular Name: (2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]met (2,7-dimethylpyrazolo[1,5-a]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) 2.15 8.69 -11.38 0 6 0 54 417.435 4 ↓
Mid Mid (pH 6-8) 2.15 10.96 -60.74 1 6 1 55 418.443 4 ↓

Parameters Provided:

ring.id = 104260
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 = 104260 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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