UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

540300
540300

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Popular Name: (7R)-5-(2,4-dichlorophenyl)-7-(2-furyl)-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine (7R)-5-(2,4-dichlorophenyl)-7-(2…

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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) 3.64 11.8 -15.33 0 5 0 56 333.178 2 ↓
Lo Low (pH 4.5-6) 3.64 12.32 -32.92 1 5 1 57 334.186 2 ↓

Analogs

540299
540299

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-5-(2,4-dichlorophenyl)-7-(2-furyl)-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine (7S)-5-(2,4-dichlorophenyl)-7-(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) 3.64 11.79 -15.96 0 5 0 56 333.178 2 ↓
Lo Low (pH 4.5-6) 3.64 12.31 -33.45 1 5 1 57 334.186 2 ↓

Parameters Provided:

ring.id = 221301
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 = 221301 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=221301&filter.purchasability=annotated

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