UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

1322069
1322069

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-5-[[(1-benzyl-4-piperidyl)amino]methylene]-1-methyl-hexahydropyrimidine-2,4,6-trione (5E)-5-[[(1-benzyl-4-piperidyl)a…

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) 0.36 6.42 -52.2 3 7 1 88 343.407 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[[1-[(4-chlorophenyl)methyl]-4-piperidyl]amino]methylene]-1,3-dimethyl-hexahydropyrimidine-2,4,6- 5-[[[1-[(4-chlorophenyl)methyl]-…

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) 1.10 9.08 -57.31 2 7 1 78 391.879 4 ↓
Hi High (pH 8-9.5) 1.10 6.83 -10.24 1 7 0 76 390.871 4 ↓

Parameters Provided:

ring.id = 57416
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 = 57416 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=57416&filter.purchasability=annotated

Embed Link to Results