UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

39263295
39263295
39264255
39264255

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-chloro-2-methylphenoxy)(3-pyridyl) 4-benzylpiperazinyl ketone 2-(4-chloro-2-methylphenoxy)(3-p…

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) 4.06 9.39 -12.46 0 5 0 46 421.928 5 ↓

Analogs

39262544
39262544
39263952
39263952
39264422
39264422

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[4-(2-phenoxypyridine-3-carbonyl)piperazin-1-yl]methyl]benzonitrile 4-[[4-(2-phenoxypyridine-3-carbo…

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) 2.76 8.71 -19.4 0 6 0 69 398.466 5 ↓
Mid Mid (pH 6-8) 2.76 10.93 -65.14 1 6 1 71 399.474 5 ↓

Parameters Provided:

ring.id = 15442
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 = 15442 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=15442&filter.purchasability=annotated

Embed Link to Results