UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (Z)-5-imino-6-(4-((3-methylbenzyl)oxy)benzylidene)-2-(2-morpholino-2-oxoethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one (Z)-5-imino-6-(4-((3-methylbenzy…

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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) 1.75 8.81 -14.72 2 9 0 113 503.584 5 ↓
Mid Mid (pH 6-8) 1.75 8.85 -22.18 2 9 0 113 503.584 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (Z)-5-imino-6-(4-((2-methylbenzyl)oxy)benzylidene)-2-(2-morpholino-2-oxoethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one (Z)-5-imino-6-(4-((2-methylbenzy…

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) 1.72 8.83 -14.66 2 9 0 113 503.584 5 ↓
Mid Mid (pH 6-8) 1.72 8.95 -22.06 2 9 0 113 503.584 5 ↓

Parameters Provided:

ring.id = 71543
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 = 71543 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=71543&filter.purchasability=annotated

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