UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

10065951
10065951

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Popular Name: N-(2-diethylaminoethyl)-N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-2-phenyl-quinoline-4-carboxami N-(2-diethylaminoethyl)-N-([1,3]…

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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) 6.41 14.8 -44.01 1 7 1 69 525.654 8 ↓
Hi High (pH 8-9.5) 6.41 12.39 -10.66 0 7 0 68 524.646 8 ↓

Analogs

36643550
36643550
36643615
36643615
36643262
36643262

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Popular Name: N-[3-(dimethylamino)propyl]-N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-2-phenyl-quinoline-4-carbo N-[3-(dimethylamino)propyl]-N-([…

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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) 5.92 14.31 -44.9 1 7 1 69 511.627 7 ↓

Parameters Provided:

ring.id = 103786
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 = 103786 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=103786&filter.purchasability=annotated

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