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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: dimethyl dimethyl

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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) 4.08 6.93 -11.45 2 7 0 94 362.426 8 ↓

Analogs

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Popular Name: 2-[4-(aminomethyl)-N-methyl-anilino]-N-cycloheptyl-acetamide 2-[4-(aminomethyl)-N-methyl-anil…

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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) 3.24 5.64 -46.74 4 4 1 60 290.431 5 ↓

Analogs

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Popular Name: 2-(2-bromo-4-fluoro-anilino)-N-cycloheptyl-acetamide 2-(2-bromo-4-fluoro-anilino)-N-c…

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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) 4.71 6.44 -9.52 2 3 0 41 343.24 4 ↓

Analogs

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Popular Name: 2-(2-bromo-4,6-difluoro-anilino)-N-cycloheptyl-acetamide 2-(2-bromo-4,6-difluoro-anilino)…

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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) 4.80 6.42 -6.02 2 3 0 41 361.23 4 ↓

Analogs

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Popular Name: 2-(5-bromo-2-fluoro-anilino)-N-cycloheptyl-acetamide 2-(5-bromo-2-fluoro-anilino)-N-c…

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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) 4.71 6.36 -7.96 2 3 0 41 343.24 4 ↓

Analogs

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Popular Name: 2-(2-cyano-3-fluoro-anilino)-N-cycloheptyl-acetamide 2-(2-cyano-3-fluoro-anilino)-N-c…

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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) 3.64 6.1 -16.97 2 4 0 65 289.354 4 ↓

Analogs

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Popular Name: N-cycloheptyl-2-[3-(methoxymethyl)anilino]acetamide N-cycloheptyl-2-[3-(methoxymethy…

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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) 3.74 5.38 -9.11 2 4 0 50 290.407 6 ↓

Analogs

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Popular Name: N-cycloheptyl-2-(4-methoxy-3-methyl-anilino)acetamide N-cycloheptyl-2-(4-methoxy-3-met…

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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) 4.25 5.7 -8.81 2 4 0 50 290.407 5 ↓

Analogs

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Popular Name: N-cycloheptyl-2-(3-ethoxyanilino)acetamide N-cycloheptyl-2-(3-ethoxyanilino…

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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) 4.22 5.88 -9.66 2 4 0 50 290.407 6 ↓

Analogs

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Popular Name: N-cycloheptyl-2-(3-fluoro-2-methyl-anilino)acetamide N-cycloheptyl-2-(3-fluoro-2-meth…

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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) 4.33 6.49 -8.97 2 3 0 41 278.371 4 ↓

Analogs

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Popular Name: 2-(3-cyano-4-fluoro-anilino)-N-cycloheptyl-acetamide 2-(3-cyano-4-fluoro-anilino)-N-c…

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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) 3.66 6.08 -12.8 2 4 0 65 289.354 4 ↓

Analogs

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Popular Name: 2-(4-amino-N-methyl-anilino)-N-cycloheptyl-acetamide 2-(4-amino-N-methyl-anilino)-N-c…

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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) 3.13 5.47 -10.05 3 4 0 58 275.396 4 ↓
Lo Low (pH 4.5-6) 3.13 5.8 -14.37 4 4 0 60 276.404 4 ↓

Analogs

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Popular Name: 2-(3-amino-N-methyl-anilino)-N-cycloheptyl-acetamide 2-(3-amino-N-methyl-anilino)-N-c…

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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) 3.11 5.47 -10.39 3 4 0 58 275.396 4 ↓

Analogs

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Popular Name: 2-(2-amino-N-methyl-anilino)-N-cycloheptyl-acetamide 2-(2-amino-N-methyl-anilino)-N-c…

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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) 3.49 6.34 -8.95 3 4 0 58 275.396 4 ↓
Lo Low (pH 4.5-6) 3.49 6.19 -50.36 4 4 1 60 276.404 4 ↓

Analogs

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Popular Name: 2-(2-amino-N-ethyl-anilino)-N-cycloheptyl-acetamide 2-(2-amino-N-ethyl-anilino)-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) 3.87 7.32 -8.75 3 4 0 58 289.423 5 ↓
Lo Low (pH 4.5-6) 3.87 7.24 -48.34 4 4 1 60 290.431 5 ↓

Analogs

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Popular Name: N-cycloheptyl-2-[dimethylsulfamoyl-(4-fluorophenyl)amino]acetamide N-cycloheptyl-2-[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) 3.60 5.43 -18.69 1 6 0 70 371.478 6 ↓

Analogs

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Popular Name: N-cycloheptyl-2-[4-fluoro-2-(2-hydroxyethoxy)anilino]acetamide N-cycloheptyl-2-[4-fluoro-2-(2-h…

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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) 3.33 2.95 -12.69 3 5 0 71 324.396 7 ↓

Analogs

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Popular Name: N-(1-cyanocycloheptyl)-2-(N-[(2S)-2-hydroxypropyl]anilino)acetamide N-(1-cyanocycloheptyl)-2-(N-[(2S…

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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) 3.64 5.92 -17.31 2 5 0 76 329.444 6 ↓

Analogs

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Popular Name: N-(1-cyanocycloheptyl)-2-(N-[(2R)-2-hydroxypropyl]anilino)acetamide N-(1-cyanocycloheptyl)-2-(N-[(2R…

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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) 3.64 5.79 -17.14 2 5 0 76 329.444 6 ↓

Analogs

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Popular Name: 2-(3-chloro-N-mesyl-2-methyl-anilino)-N-cycloheptyl-acetamide 2-(3-chloro-N-mesyl-2-methyl-ani…

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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) 4.46 -4.07 -19.67 1 5 0 66 372.918 5 ↓

Analogs

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Popular Name: 2-[2-chloro-5-(hydroxymethyl)anilino]-N-(1-cyanocycloheptyl)acetamide 2-[2-chloro-5-(hydroxymethyl)ani…

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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) 3.61 3.23 -17.59 3 5 0 85 335.835 5 ↓

Analogs

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Popular Name: 3-[[2-(cycloheptylamino)-2-oxo-ethyl]amino]-5-fluoro-4-methyl-benzamide 3-[[2-(cycloheptylamino)-2-oxo-e…

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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) 3.10 3.26 -10.48 4 5 0 84 321.396 5 ↓

Analogs

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Popular Name: 4-chloro-3-[[2-(cycloheptylamino)-2-oxo-ethyl]amino]benzamide 4-chloro-3-[[2-(cycloheptylamino…

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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) 3.24 3.02 -12.17 4 5 0 84 323.824 5 ↓

Analogs

25947776
25947776

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Popular Name: N-cycloheptyl-2-(2,3-difluoroanilino)acetamide N-cycloheptyl-2-(2,3-difluoroani…

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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) 4.04 5.8 -12.98 2 3 0 41 282.334 4 ↓

Parameters Provided:

ring.id = 29774
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 = 29774 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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