UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

9160987
9160987
12888205
12888205
2244658
2244658

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[6-(N,3-dimethylanilino)pyrimidin-4-yl]piperazin-1-yl]-(1,3-dimethylthieno[2,3-c]pyrazol-5-yl)met [4-[6-(N,3-dimethylanilino)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) 3.71 12.87 -40.75 1 8 1 72 462.603 4 ↓
Mid Mid (pH 6-8) 3.71 12.42 -13.84 0 8 0 70 461.595 4 ↓

Analogs

12888205
12888205
11430603
11430603
12792278
12792278
13001733
13001733
10766755
10766755

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[6-(3-bromoanilino)pyrimidin-4-yl]piperazin-1-yl]-(1,3-dimethylthieno[2,3-c]pyrazol-5-yl)methanon [4-[6-(3-bromoanilino)pyrimidin-…

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) 4.26 12.1 -15.55 1 8 0 79 512.437 4 ↓
Mid Mid (pH 6-8) 4.26 11.71 -45.63 2 8 1 80 513.445 4 ↓
Mid Mid (pH 6-8) 4.26 12.43 -47.73 2 8 1 80 513.445 4 ↓

Parameters Provided:

ring.id = 604662
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 = 604662 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=604662&filter.purchasability=annotated

Embed Link to Results