UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

2788492
2788492

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Popular Name: 7-(2-furyl)pyrazolo[1,5-a]pyrimidine 7-(2-furyl)pyrazolo[1,5-a]pyrimi…

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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) 1.39 1.57 -14 0 4 0 43 185.186 1 ↓

Analogs

4072965
4072965

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Popular Name: 7-(2-furyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile 7-(2-furyl)pyrazolo[1,5-a]pyrimi…

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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) 1.07 3.02 -16.06 0 5 0 67 210.196 1 ↓

Analogs

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Popular Name: 7-(2-furyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic-acid-ethyl-ester 7-(2-furyl)pyrazolo[1,5-a]pyrimi…

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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) 1.52 2.66 -18.52 0 6 0 69 257.249 4 ↓

Analogs

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Popular Name: 3-bromo-7-(2-furyl)-2-methyl-pyrazolo[1,5-a]pyrimidine 3-bromo-7-(2-furyl)-2-methyl-pyr…

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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) 2.35 0.91 -14.53 0 4 0 43 278.109 1 ↓

Analogs

153799
153799

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Popular Name: 3-chloro-7-(2-furyl)-2-methyl-pyrazolo[1,5-a]pyrimidine 3-chloro-7-(2-furyl)-2-methyl-py…

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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) 2.21 1.52 -14.45 0 4 0 43 233.658 1 ↓

Parameters Provided:

ring.id = 235244
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 = 235244 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=235244&filter.purchasability=annotated

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