UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

41507382
41507382
23239191
23239191
5476828
5476828

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Popular Name: N-[(1R)-1-(2-furyl)ethyl]-1-phenyl-cyclobutane-1-carboxamide N-[(1R)-1-(2-furyl)ethyl]-1-phen…

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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) 2.97 7.81 -7.64 1 3 0 42 269.344 4 ↓

Analogs

41507382
41507382
23239191
23239191
5476828
5476828

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Popular Name: N-[(1S)-1-(2-furyl)ethyl]-1-phenyl-cyclobutane-1-carboxamide N-[(1S)-1-(2-furyl)ethyl]-1-phen…

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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) 2.97 7.82 -8.13 1 3 0 42 269.344 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-chlorophenyl)-N-(2-furylmethyl)cyclobutanecarboxamide 1-(4-chlorophenyl)-N-(2-furylmet…

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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) 3.09 7.49 -7.47 1 3 0 42 289.762 4 ↓

Analogs

25463081
25463081
25463076
25463076

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Popular Name: N-(2-furylmethyl)-1-phenyl-cyclobutanecarboxamide N-(2-furylmethyl)-1-phenyl-cyclo…

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) 2.41 6.99 -7.76 1 3 0 42 255.317 4 ↓

Parameters Provided:

ring.id = 147614
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 = 147614 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=147614&filter.purchasability=annotated

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