UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

5753542
5753542

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Popular Name: 7-[1,1'-biphenyl]-4-yl-2-methylpyrazolo[1,5-a]pyrimidine 7-[1,1'-biphenyl]-4-yl-2-methylp…

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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) 4.26 1.9 -12.93 0 3 0 30 285.35 2 ↓

Analogs

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Popular Name: 7-[1,1'-biphenyl]-4-yl-3-bromo-2-methylpyrazolo[1,5-a]pyrimidine 7-[1,1'-biphenyl]-4-yl-3-bromo-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) 5.00 1.14 -13 0 3 0 30 364.246 2 ↓

Analogs

2787754
2787754

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Popular Name: 7-[1,1'-biphenyl]-4-yl-3-chloro-2-methylpyrazolo[1,5-a]pyrimidine 7-[1,1'-biphenyl]-4-yl-3-chloro-…

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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) 4.87 1.75 -12.99 0 3 0 30 319.795 2 ↓

Parameters Provided:

ring.id = 227908
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 = 227908 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=227908&filter.purchasability=annotated

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