UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3-methoxyphenyl)methyl]-4-(p-tolyl)-3H-pyrido[2,3-e][1,2,4]thiadiazine 2-[(3-methoxyphenyl)methyl]-4-(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) 3.83 8.97 -16.56 0 6 0 63 395.484 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-benzyl-4-(p-tolyl)-3H-pyrido[2,3-e][1,2,4]thiadiazine 2-benzyl-4-(p-tolyl)-3H-pyrido[2…

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) 3.80 9.67 -13.46 0 5 0 54 365.458 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[1,1-dioxo-4-(p-tolyl)-3H-pyrido[2,3-e][1,2,4]thiadiazin-2-yl]methyl]benzonitrile 3-[[1,1-dioxo-4-(p-tolyl)-3H-pyr…

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) 3.53 10.05 -18.75 0 6 0 77 390.468 3 ↓

Parameters Provided:

ring.id = 565140
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 = 565140 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=565140&filter.purchasability=annotated

Embed Link to Results