UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2S)-2-piperidyl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine 3-[(2S)-2-piperidyl]-6-(trifluor…

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) 2.37 7.3 -41.87 2 4 1 47 271.266 2 ↓
Hi High (pH 8-9.5) 2.37 6 -9.17 1 4 0 42 270.258 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2R)-2-piperidyl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine 3-[(2R)-2-piperidyl]-6-(trifluor…

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) 2.37 7.3 -41.85 2 4 1 47 271.266 2 ↓
Hi High (pH 8-9.5) 2.37 6.06 -8.35 1 4 0 42 270.258 2 ↓

Parameters Provided:

ring.id = 568511
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 = 568511 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=568511&filter.purchasability=annotated

Embed Link to Results