UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

36634146
36634146
36634148
36634148
36634179
36634179
4255129
4255129
12063719
12063719

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-1-methyl-N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)imidazole-2-carboxamide (NZ)-1-methyl-N-(7-methyl-[1,3]d…

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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) 2.41 5.05 -13.45 0 7 0 71 316.342 1 ↓

Analogs

36634178
36634178
36634179
36634179
38875931
38875931
12063720
12063720
12063528
12063528

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-N-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-1-methyl-imidazole-2-carboxamide (NZ)-N-(7-ethyl-[1,3]dioxolo[4,5…

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) 2.79 5.81 -13.4 0 7 0 71 330.369 2 ↓

Parameters Provided:

ring.id = 99500
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 = 99500 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=99500&filter.purchasability=annotated

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