UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

36731501
36731501
36880138
36880138
36880349
36880349
36880481
36880481
36880598
36880598

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Popular Name: N-cyclohexyl-3-(2-furyl)propanamide N-cyclohexyl-3-(2-furyl)propanamide

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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) 2.66 5.9 -7.83 1 3 0 42 221.3 4 ↓

Analogs

41952069
41952069
41952072
41952072
36140141
36140141

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Popular Name: N-(4-aminocyclohexyl)-3-(2-furyl)propanamide N-(4-aminocyclohexyl)-3-(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) 0.55 3.14 -49.75 4 4 1 70 237.323 4 ↓

Analogs

41952069
41952069
41952072
41952072
36140141
36140141

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Popular Name: 3-(2-furyl)-N-[4-(methylamino)cyclohexyl]propanamide 3-(2-furyl)-N-[4-(methylamino)cy…

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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) 1.45 4.83 -44.7 3 4 1 59 251.35 5 ↓

Analogs

41952069
41952069
41952072
41952072
36140141
36140141

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Popular Name: N-[4-(ethylamino)cyclohexyl]-3-(2-furyl)propanamide N-[4-(ethylamino)cyclohexyl]-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) 1.83 6.1 -46.53 3 4 1 59 265.377 6 ↓

Analogs

41952069
41952069
41952072
41952072
36140141
36140141

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Popular Name: 3-(2-furyl)-N-[4-(propylamino)cyclohexyl]propanamide 3-(2-furyl)-N-[4-(propylamino)cy…

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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) 2.33 6.45 -44.52 3 4 1 59 279.404 7 ↓

Analogs

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Popular Name: N-cyclohexyl-3-(2-furyl)-N-(2-hydroxyethyl)propanamide N-cyclohexyl-3-(2-furyl)-N-(2-hy…

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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) 2.27 5.44 -8.77 1 4 0 54 265.353 6 ↓

Parameters Provided:

ring.id = 36827
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 = 36827 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=36827&filter.purchasability=annotated

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