UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-fluorophenyl)methyl]-6-hydroxy-1-methyl-7-oxo-pyrazolo[1,5-a]pyrimidine-5-carboxamide N-[(4-fluorophenyl)methyl]-6-hyd…

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) 1.01 4.87 -19.36 2 7 0 89 316.292 3 ↓
Hi High (pH 8-9.5) 1.01 6.27 -48.8 2 7 0 93 316.292 3 ↓
Mid Mid (pH 6-8) 1.01 5.33 -42.9 3 7 1 90 317.3 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-fluorophenyl)methyl]-6-hydroxy-7-oxo-2-phenyl-1H-pyrazolo[1,5-a]pyrimidine-5-carboxamide N-[(4-fluorophenyl)methyl]-6-hyd…

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) 2.61 7.18 -14.31 3 7 0 99 378.363 4 ↓
Hi High (pH 8-9.5) 2.61 8.12 -60.1 2 7 -1 102 377.355 4 ↓

Parameters Provided:

ring.id = 366899
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 = 366899 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=366899&filter.purchasability=annotated

Embed Link to Results