UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

65330457
65330457
65330458
65330458
65330459
65330459
65330462
65330462
21886872
21886872

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Popular Name: [4-(4-methoxyanilino)furo[3,2-c]pyridin-6-yl]-pyrrolidin-1-yl-methanone [4-(4-methoxyanilino)furo[3,2-c]…

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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 7.57 -11.93 1 6 0 68 337.379 4 ↓

Analogs

65330457
65330457
65330458
65330458
65330459
65330459

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Popular Name: [4-(4-chloroanilino)furo[3,2-c]pyridin-6-yl]-pyrrolidin-1-yl-methanone [4-(4-chloroanilino)furo[3,2-c]p…

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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) 4.26 8.8 -10.63 1 5 0 58 341.798 3 ↓

Analogs

65330457
65330457
65330458
65330458
65330459
65330459
21886872
21886872

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Popular Name: [4-(4-fluoroanilino)furo[3,2-c]pyridin-6-yl]-pyrrolidin-1-yl-methanone [4-(4-fluoroanilino)furo[3,2-c]p…

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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) 3.75 8.33 -11.23 1 5 0 58 325.343 3 ↓

Parameters Provided:

ring.id = 18525
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 = 18525 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=18525&filter.purchasability=annotated

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