UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]-2-(5-methyl-2-furyl)thiazole 4-[(1-methyl-6,7-dihydro-4H-imid…

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) 1.32 7.91 -33.21 1 5 1 48 315.422 3 ↓
Hi High (pH 8-9.5) 1.32 7.45 -17.99 0 5 0 47 314.414 3 ↓
Mid Mid (pH 6-8) 1.32 10.15 -95.95 2 5 2 50 316.43 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-furyl)-4-[(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]thiazole 2-(2-furyl)-4-[(1-methyl-6,7-dih…

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 7.07 -33.27 1 5 1 48 301.395 3 ↓
Hi High (pH 8-9.5) 1.10 6.61 -17.6 0 5 0 47 300.387 3 ↓
Mid Mid (pH 6-8) 1.10 9.33 -96 2 5 2 50 302.403 3 ↓

Parameters Provided:

ring.id = 369110
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 = 369110 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=369110&filter.purchasability=annotated

Embed Link to Results