UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(5-isopropyl-2H-pyrazol-3-yl)-2-(methoxymethyl)-3-(4-methoxyphenyl)pyrazolo[5,1-b]pyrimidin-7-ol 5-(5-isopropyl-2H-pyrazol-3-yl)-…

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) 4.37 5.19 -30.36 3 8 1 99 394.455 5 ↓
Mid Mid (pH 6-8) 3.88 5.39 -58.01 1 8 -1 100 392.439 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(5-isopropyl-2H-pyrazol-3-yl)-2-(methoxymethyl)-3-phenyl-pyrazolo[5,1-b]pyrimidin-7-ol 5-(5-isopropyl-2H-pyrazol-3-yl)-…

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) 4.31 5.9 -29.1 3 7 1 90 364.429 4 ↓
Mid Mid (pH 6-8) 3.82 6.02 -59.33 1 7 -1 91 362.413 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-hydroxy-5-(5-isopropyl-2H-pyrazol-3-yl)-N-phenyl-pyrazolo[1,5-a]pyrimidine-3-carboxamide 7-hydroxy-5-(5-isopropyl-2H-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) 3.22 4.63 -32.57 4 8 1 109 363.401 3 ↓
Mid Mid (pH 6-8) 2.72 4.75 -59.87 2 8 -1 111 361.385 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3,4-dimethoxyphenyl)-5-(5-isopropyl-2H-pyrazol-3-yl)pyrazolo[5,1-b]pyrimidin-7-ol 2-(3,4-dimethoxyphenyl)-5-(5-iso…

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) 3.72 5.33 -36.97 3 8 1 99 380.428 4 ↓
Mid Mid (pH 6-8) 3.23 5.54 -59.05 1 8 -1 100 378.412 5 ↓

Parameters Provided:

ring.id = 30525
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 = 30525 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=30525&filter.purchasability=annotated

Embed Link to Results