UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

34819097
34819097
34819099
34819099
34819101
34819101
34819107
34819107
34819109
34819109

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(2,4-dichlorophenyl)-2-phenyl-pyrazolo[5,1-b]pyrimidine-7-carboxylic 5-(2,4-dichlorophenyl)-2-phenyl-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 5.23 11.67 -54.75 0 5 -1 70 383.214 3 ↓

Analogs

34819062
34819062
34832224
34832224
34832234
34832234
34832236
34832236
34832240
34832240

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(4-chlorophenyl)-2-phenyl-pyrazolo[5,1-b]pyrimidine-7-carboxylic 5-(4-chlorophenyl)-2-phenyl-pyra…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 4.63 10.75 -54.85 0 5 -1 70 348.769 3 ↓

Analogs

34831400
34831400
34832226
34832226
34832230
34832230
34832234
34832234
34832236
34832236

Draw Identity 99% 90% 80% 70%

Popular Name: 2,5-diphenylpyrazolo[5,1-b]pyrimidine-7-carboxylic 2,5-diphenylpyrazolo[5,1-b]pyrim…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.95 0.97 -57.89 0 5 -1 70 314.324 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(4-nitrophenyl)-2-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine 5-(4-nitrophenyl)-2-phenyl-7-(tr…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 5.23 12.27 -13.2 0 6 0 76 384.317 4 ↓

Parameters Provided:

ring.id = 74914
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 = 74914 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=74914&filter.purchasability=annotated

Embed Link to Results