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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-cyclopropyl-5-(dimethylsulfamoyl)-N-(2-hydroxyethyl)furan-2-carboxamide N-cyclopropyl-5-(dimethylsulfamo…

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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) -0.03 0.08 -11.87 1 7 0 91 302.352 6 ↓

Analogs

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Popular Name: N-cyclopropyl-N-(2-hydroxyethyl)-5-(methylsulfanylmethyl)furan-2-carboxamide N-cyclopropyl-N-(2-hydroxyethyl)…

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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) 1.10 4.09 -9.21 1 4 0 54 255.339 6 ↓

Analogs

37860401
37860401
37860761
37860761

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Popular Name: N-cyclopropyl-5-(difluoromethylsulfanylmethyl)-N-(2-hydroxyethyl)furan-2-carboxamide N-cyclopropyl-5-(difluoromethyls…

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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) 1.66 4.47 -9.04 1 4 0 54 291.319 7 ↓

Analogs

37860520
37860520
37860881
37860881

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Popular Name: N-cyclopropyl-N-(2-hydroxyethyl)-3-methyl-furan-2-carboxamide N-cyclopropyl-N-(2-hydroxyethyl)…

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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) 0.74 2.72 -9.06 1 4 0 54 209.245 4 ↓

Analogs

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Popular Name: 5-bromo-N-cyclopropyl-N-(2-hydroxyethyl)furan-2-carboxamide 5-bromo-N-cyclopropyl-N-(2-hydro…

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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) 1.30 2.76 -6.34 1 4 0 54 274.114 4 ↓

Analogs

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Popular Name: N-cyclopropyl-N-(2-hydroxyethyl)furan-2-carboxamide N-cyclopropyl-N-(2-hydroxyethyl)…

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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) 0.37 2.05 -9.56 1 4 0 54 195.218 4 ↓

Analogs

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Popular Name: N-cyclopropyl-N-(2-hydroxyethyl)-5-nitro-furan-2-carboxamide N-cyclopropyl-N-(2-hydroxyethyl)…

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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) 0.45 2.71 -7.02 1 7 0 100 240.215 5 ↓

Analogs

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Popular Name: N-cyclopropyl-N-(2-hydroxyethyl)-5-methyl-furan-2-carboxamide N-cyclopropyl-N-(2-hydroxyethyl)…

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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) 0.59 2.87 -9.05 1 4 0 54 209.245 4 ↓

Analogs

37860481
37860481
37860842
37860842

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Popular Name: 5-chloro-N-cyclopropyl-N-(2-hydroxyethyl)furan-2-carboxamide 5-chloro-N-cyclopropyl-N-(2-hydr…

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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) 1.17 2.65 -6.26 1 4 0 54 229.663 4 ↓

Analogs

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Popular Name: N-cyclopropyl-5-ethyl-N-(2-hydroxyethyl)furan-2-carboxamide N-cyclopropyl-5-ethyl-N-(2-hydro…

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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) 1.16 3.65 -8.49 1 4 0 54 223.272 5 ↓

Analogs

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Popular Name: N-cyclopropyl-5-(diethylaminomethyl)-N-(2-hydroxyethyl)furan-2-carboxamide N-cyclopropyl-5-(diethylaminomet…

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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) 1.16 5.51 -45.81 2 5 1 58 281.376 8 ↓

Analogs

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Popular Name: N-cyclopropyl-N-ethyl-3-methyl-furan-2-carboxamide N-cyclopropyl-N-ethyl-3-methyl-f…

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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) 1.75 6.03 -7.48 0 3 0 33 193.246 3 ↓

Analogs

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Popular Name: N-cyclopropyl-N-[(1R,2R)-1,2-dimethylbutyl]-5-(methylsulfonylmethyl)furan-2-carboxamide N-cyclopropyl-N-[(1R,2R)-1,2-dim…

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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) 2.56 6.3 -19.03 0 5 0 68 327.446 7 ↓

Analogs

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Popular Name: N-cyclopropyl-N-[(1R,2S)-1,2-dimethylbutyl]-5-(methylsulfonylmethyl)furan-2-carboxamide N-cyclopropyl-N-[(1R,2S)-1,2-dim…

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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) 2.56 6.49 -18.33 0 5 0 68 327.446 7 ↓

Analogs

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Popular Name: N-cyclopropyl-N-[(1S,2R)-1,2-dimethylbutyl]-5-(methylsulfonylmethyl)furan-2-carboxamide N-cyclopropyl-N-[(1S,2R)-1,2-dim…

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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) 2.56 5.82 -17.96 0 5 0 68 327.446 7 ↓

Analogs

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Popular Name: N-cyclopropyl-N-[(1S,2S)-1,2-dimethylbutyl]-5-(methylsulfonylmethyl)furan-2-carboxamide N-cyclopropyl-N-[(1S,2S)-1,2-dim…

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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) 2.56 6.32 -18.86 0 5 0 68 327.446 7 ↓

Analogs

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Popular Name: 5-(tert-butylsulfamoyl)-N-cyclopropyl-N-methyl-furan-2-carboxamide 5-(tert-butylsulfamoyl)-N-cyclop…

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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) 1.54 2.59 -10.71 1 6 0 80 300.38 5 ↓

Analogs

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Popular Name: N-cyclopropyl-N-methyl-5-(methylsulfamoyl)furan-2-carboxamide N-cyclopropyl-N-methyl-5-(methyl…

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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) 0.35 0.47 -11.54 1 6 0 80 258.299 4 ↓

Analogs

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Popular Name: N-(3-amino-3-thioxo-propyl)-N-cyclopropyl-furan-2-carboxamide N-(3-amino-3-thioxo-propyl)-N-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) 0.19 4.47 -10.79 2 4 0 59 238.312 5 ↓

Analogs

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Popular Name: N-cyclopropyl-N-(2-methoxyethyl)furan-2-carboxamide N-cyclopropyl-N-(2-methoxyethyl)…

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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) 0.98 5.45 -9.41 0 4 0 43 209.245 5 ↓

Analogs

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Popular Name: N-(cyanomethyl)-N-cyclopropyl-5-(methylsulfamoyl)furan-2-carboxamide N-(cyanomethyl)-N-cyclopropyl-5-…

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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) 0.14 1.21 -15.84 1 7 0 103 283.309 5 ↓

Analogs

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Popular Name: N-cyclopropyl-N-ethyl-5-(methylsulfamoyl)furan-2-carboxamide N-cyclopropyl-N-ethyl-5-(methyls…

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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) 0.73 1.58 -11.59 1 6 0 80 272.326 5 ↓

Parameters Provided:

ring.id = 63114
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 = 63114 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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