UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

21004814
21004814

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Popular Name: 3-methyl-N-(4-oxocyclohexyl)furan-2-carboxamide 3-methyl-N-(4-oxocyclohexyl)fura…

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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) 0.87 4.12 -9.89 1 4 0 59 221.256 2 ↓

Analogs

290613
290613

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Popular Name: 5-bromo-N-(4-oxocyclohexyl)furan-2-carboxamide 5-bromo-N-(4-oxocyclohexyl)furan…

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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) 1.42 4.16 -7.89 1 4 0 59 286.125 2 ↓

Analogs

369319
369319

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Popular Name: 5-nitro-N-(4-oxocyclohexyl)furan-2-carboxamide 5-nitro-N-(4-oxocyclohexyl)furan…

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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) 0.57 4.16 -10.19 1 7 0 105 252.226 3 ↓

Analogs

68799
68799

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Popular Name: N-(4-oxocyclohexyl)furan-2-carboxamide N-(4-oxocyclohexyl)furan-2-carbo…

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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) 0.49 3.44 -10.21 1 4 0 59 207.229 2 ↓

Analogs

47220133
47220133
484391
484391
5792639
5792639

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Popular Name: 5-methyl-N-(4-oxocyclohexyl)furan-2-carboxamide 5-methyl-N-(4-oxocyclohexyl)fura…

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) 0.71 4.27 -9.81 1 4 0 59 221.256 2 ↓

Parameters Provided:

ring.id = 123104
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 = 123104 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=123104&filter.purchasability=annotated

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