UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(5-methyl-6,7-dihydro-4H-thiazolo[5,4-c]pyridin-2-yl)-3-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3 1-(5-methyl-6,7-dihydro-4H-thiaz…

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) 1.90 1.61 -10.48 2 6 0 60 363.409 4 ↓
Mid Mid (pH 6-8) 1.90 4.34 -48.93 3 6 1 62 364.417 4 ↓
Lo Low (pH 4.5-6) 1.90 6.77 -96.88 4 6 2 63 365.425 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(5-methyl-6,7-dihydro-4H-thiazolo[5,4-c]pyridin-2-yl)-3-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3 1-(5-methyl-6,7-dihydro-4H-thiaz…

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) 1.90 1.6 -10.96 2 6 0 60 363.409 4 ↓
Mid Mid (pH 6-8) 1.90 4.34 -50.05 3 6 1 62 364.417 4 ↓
Lo Low (pH 4.5-6) 1.90 6.77 -97.57 4 6 2 63 365.425 4 ↓

Parameters Provided:

ring.id = 177463
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 = 177463 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=177463&filter.purchasability=annotated

Embed Link to Results