UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12000435
12000435
40167743
40167743
40167745
40167745
40167975
40167975
40167977
40167977

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Popular Name: (2R)-N-cyclohexyl-2-[2-(2-furyl)-4-oxo-chromen-3-yl]oxy-propanamide (2R)-N-cyclohexyl-2-[2-(2-furyl)…

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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) 4.24 1.59 -17.93 1 6 0 82 381.428 5 ↓

Analogs

40169065
40169065
40169067
40169067
40169104
40169104
40169106
40169106
12000428
12000428

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Popular Name: (2S)-N-cyclohexyl-2-[2-(2-furyl)-4-oxo-chromen-3-yl]oxy-propanamide (2S)-N-cyclohexyl-2-[2-(2-furyl)…

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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) 4.24 1.68 -17.74 1 6 0 82 381.428 5 ↓

Analogs

1292039
1292039

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Popular Name: N-cyclohexyl-2-[2-(2-furyl)-4-keto-chromen-3-yl]oxy-acetamide N-cyclohexyl-2-[2-(2-furyl)-4-ke…

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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) 3.88 1.42 -20.12 1 6 0 81 367.401 5 ↓

Parameters Provided:

ring.id = 70290
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 = 70290 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=70290&filter.purchasability=annotated

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