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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-chloro-2-iodo-N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-benzamide 4-chloro-2-iodo-N-[2-(4-methoxyp…

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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 8.97 -9.14 0 4 0 39 445.684 6 ↓

Analogs

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Popular Name: 5-chloro-2-iodo-N-[2-(3-methylphenoxy)ethyl]benzamide 5-chloro-2-iodo-N-[2-(3-methylph…

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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) 4.93 8.5 -7.97 1 3 0 38 415.658 5 ↓

Analogs

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Popular Name: 5-amino-2-chloro-N-methyl-N-(2-phenoxyethyl)benzamide 5-amino-2-chloro-N-methyl-N-(2-p…

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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 7.08 -14.77 2 4 0 56 304.777 5 ↓

Analogs

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Popular Name: 2-amino-4-chloro-N-methyl-N-(2-phenoxyethyl)benzamide 2-amino-4-chloro-N-methyl-N-(2-p…

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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) 2.68 7.32 -9.93 2 4 0 56 304.777 5 ↓

Analogs

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Popular Name: 4-amino-2-chloro-N-methyl-N-(2-phenoxyethyl)benzamide 4-amino-2-chloro-N-methyl-N-(2-p…

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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 7.08 -15.09 2 4 0 56 304.777 5 ↓

Analogs

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Popular Name: 2-amino-5-chloro-N-methyl-N-(2-phenoxyethyl)benzamide 2-amino-5-chloro-N-methyl-N-(2-p…

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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) 2.68 7.31 -9.55 2 4 0 56 304.777 5 ↓

Analogs

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Popular Name: 3-amino-N,2-dimethyl-N-(2-phenoxyethyl)benzamide 3-amino-N,2-dimethyl-N-(2-phenox…

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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) 2.42 6.68 -9.04 2 4 0 56 284.359 5 ↓

Analogs

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Popular Name: 2-amino-N,6-dimethyl-N-(2-phenoxyethyl)benzamide 2-amino-N,6-dimethyl-N-(2-phenox…

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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) 2.42 6.63 -8.11 2 4 0 56 284.359 5 ↓

Analogs

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Popular Name: 3-amino-4-fluoro-N-methyl-N-(2-phenoxyethyl)benzamide 3-amino-4-fluoro-N-methyl-N-(2-p…

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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) 2.16 6.72 -12.75 2 4 0 56 288.322 5 ↓

Analogs

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Popular Name: 5-amino-2-fluoro-N-methyl-N-(2-phenoxyethyl)benzamide 5-amino-2-fluoro-N-methyl-N-(2-p…

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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 6.65 -17.77 2 4 0 56 288.322 5 ↓

Analogs

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Popular Name: 3-amino-4-bromo-N-methyl-N-(2-phenoxyethyl)benzamide 3-amino-4-bromo-N-methyl-N-(2-ph…

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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) 2.81 7.33 -12.24 2 4 0 56 349.228 5 ↓

Analogs

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Popular Name: 2,4-diamino-N-methyl-N-(2-phenoxyethyl)benzamide 2,4-diamino-N-methyl-N-(2-phenox…

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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) 1.07 4.68 -11.76 4 5 0 82 285.347 5 ↓

Analogs

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Popular Name: 3,5-diamino-N-methyl-N-(2-phenoxyethyl)benzamide 3,5-diamino-N-methyl-N-(2-phenox…

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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) 0.67 4.5 -14.54 4 5 0 82 285.347 5 ↓

Analogs

37797934
37797934
37802152
37802152
37802153
37802153

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Popular Name: 2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methyl-benzamide 2-amino-N-[2-(4-fluorophenoxy)et…

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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) 2.19 6.86 -10.53 2 4 0 56 288.322 5 ↓

Analogs

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Popular Name: 2-hydroxy-N,5-dimethyl-N-(2-phenoxyethyl)benzamide 2-hydroxy-N,5-dimethyl-N-(2-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) 3.50 6.51 -11.25 1 4 0 50 285.343 5 ↓
Hi High (pH 8-9.5) 3.50 7.39 -57.56 0 4 -1 53 284.335 5 ↓

Analogs

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Popular Name: 3-cyano-N-[2-(2-methoxyphenoxy)ethyl]benzamide 3-cyano-N-[2-(2-methoxyphenoxy)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) 2.16 6.53 -15.19 1 5 0 71 296.326 6 ↓

Analogs

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Popular Name: 2-hydroxy-N-[2-(2-methoxyphenoxy)ethyl]-5-methyl-benzamide 2-hydroxy-N-[2-(2-methoxyphenoxy…

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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) 3.34 5.37 -13.6 2 5 0 68 301.342 6 ↓
Hi High (pH 8-9.5) 3.34 6.37 -60.23 1 5 -1 71 300.334 6 ↓

Analogs

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Popular Name: 5-bromo-2-hydroxy-N-[2-(2-methoxyphenoxy)ethyl]benzamide 5-bromo-2-hydroxy-N-[2-(2-methox…

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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) 3.70 5.3 -11.57 2 5 0 68 366.211 6 ↓
Hi High (pH 8-9.5) 3.70 6.31 -52.92 1 5 -1 71 365.203 6 ↓

Analogs

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Popular Name: 5-chloro-2-hydroxy-N-[2-(2-methoxyphenoxy)ethyl]benzamide 5-chloro-2-hydroxy-N-[2-(2-metho…

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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) 3.57 5.2 -11.67 2 5 0 68 321.76 6 ↓
Hi High (pH 8-9.5) 3.57 6.2 -52.97 1 5 -1 71 320.752 6 ↓

Analogs

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Popular Name: 2,5-difluoro-N-[2-(3-methylphenoxy)ethyl]benzamide 2,5-difluoro-N-[2-(3-methylpheno…

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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 7.05 -11.57 1 3 0 38 291.297 5 ↓

Analogs

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Popular Name: N-[2-(4-tert-butylphenoxy)ethyl]-2-chloro-4-fluoro-benzamide N-[2-(4-tert-butylphenoxy)ethyl]…

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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) 5.29 9.15 -10.27 1 3 0 38 349.833 6 ↓

Analogs

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Popular Name: 3-acetamido-N-[2-(4-tert-butylphenoxy)ethyl]benzamide 3-acetamido-N-[2-(4-tert-butylph…

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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) 3.71 7.46 -22.91 2 5 0 67 354.45 7 ↓

Analogs

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Popular Name: N-[2-(4-tert-butylphenoxy)ethyl]-2,5-difluoro-benzamide N-[2-(4-tert-butylphenoxy)ethyl]…

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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) 4.77 8.71 -11.09 1 3 0 38 333.378 6 ↓

Analogs

34613298
34613298

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Popular Name: N-[2-(4-tert-butylphenoxy)ethyl]-2-methoxy-5-sulfamoyl-benzamide N-[2-(4-tert-butylphenoxy)ethyl]…

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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) 3.75 4 -19.38 3 7 0 108 406.504 8 ↓

Analogs

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Popular Name: N-[2-(4-tert-butylphenoxy)ethyl]-4-sulfamoyl-benzamide N-[2-(4-tert-butylphenoxy)ethyl]…

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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) 3.21 3.42 -18.66 3 6 0 98 376.478 7 ↓

Analogs

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Popular Name: N-[2-(4-tert-butylphenoxy)ethyl]-2-methyl-5-methylsulfonyl-benzamide N-[2-(4-tert-butylphenoxy)ethyl]…

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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) 3.77 6.79 -14.43 1 5 0 72 389.517 7 ↓

Analogs

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Popular Name: 2-chloro-N-[2-(4-chlorophenoxy)ethyl]-5-nitro-benzamide 2-chloro-N-[2-(4-chlorophenoxy)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) 4.06 7.94 -10.6 1 6 0 84 355.177 6 ↓

Analogs

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Popular Name: N-[2-(4-chlorophenoxy)ethyl]-2,3-dimethyl-benzamide N-[2-(4-chlorophenoxy)ethyl]-2,3…

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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) 4.29 8 -8.65 1 3 0 38 303.789 5 ↓

Analogs

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Popular Name: 2-chloro-N-[2-(4-chlorophenoxy)ethyl]-5-methylsulfanyl-benzamide 2-chloro-N-[2-(4-chlorophenoxy)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) 4.53 8.31 -10.28 1 3 0 38 356.274 6 ↓

Analogs

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Popular Name: N-[2-(4-chlorophenoxy)ethyl]-2-methyl-benzamide N-[2-(4-chlorophenoxy)ethyl]-2-m…

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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) 3.89 7.44 -8.51 1 3 0 38 289.762 5 ↓

Analogs

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Popular Name: N-[2-(4-chlorophenoxy)ethyl]-2,3-dimethoxy-benzamide N-[2-(4-chlorophenoxy)ethyl]-2,3…

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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) 3.86 7.09 -13.89 1 5 0 57 335.787 7 ↓

Analogs

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Popular Name: N-[2-(4-chlorophenoxy)ethyl]-2,4-dimethoxy-benzamide N-[2-(4-chlorophenoxy)ethyl]-2,4…

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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 6.64 -12.98 1 5 0 57 335.787 7 ↓

Analogs

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Popular Name: 2-chloro-N-[2-(4-chlorophenoxy)ethyl]-4-fluoro-benzamide 2-chloro-N-[2-(4-chlorophenoxy)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) 4.26 7.34 -11.1 1 3 0 38 328.17 5 ↓

Analogs

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Popular Name: N-[2-(4-chlorophenoxy)ethyl]-3,4-difluoro-benzamide N-[2-(4-chlorophenoxy)ethyl]-3,4…

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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) 3.75 6.88 -12.64 1 3 0 38 311.715 5 ↓

Analogs

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Popular Name: N-[2-(4-chlorophenoxy)ethyl]-4-(methoxymethyl)benzamide N-[2-(4-chlorophenoxy)ethyl]-4-(…

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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) 3.44 6.5 -10.2 1 4 0 48 319.788 7 ↓

Analogs

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Popular Name: N-[2-(4-chlorophenoxy)ethyl]-2,5-difluoro-benzamide N-[2-(4-chlorophenoxy)ethyl]-2,5…

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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) 3.75 6.9 -11.69 1 3 0 38 311.715 5 ↓

Analogs

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Popular Name: 4-chloro-N-[2-(4-chlorophenoxy)ethyl]-3-(dimethylsulfamoyl)benzamide 4-chloro-N-[2-(4-chlorophenoxy)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) 3.41 5.14 -17.59 1 6 0 76 417.314 7 ↓

Analogs

26078448
26078448

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Popular Name: N-[2-(4-chlorophenoxy)ethyl]-4-(isopropylsulfamoyl)benzamide N-[2-(4-chlorophenoxy)ethyl]-4-(…

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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) 3.23 4.49 -16.39 2 6 0 85 396.896 8 ↓

Analogs

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Popular Name: N-[2-(4-chlorophenoxy)ethyl]-3-(isopropylsulfamoyl)benzamide N-[2-(4-chlorophenoxy)ethyl]-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) 3.21 4.35 -16.92 2 6 0 85 396.896 8 ↓

Analogs

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Popular Name: N-[2-(4-chlorophenoxy)ethyl]-4-dimethylamino-3-nitro-benzamide N-[2-(4-chlorophenoxy)ethyl]-4-d…

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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) 3.48 8.05 -18.56 1 7 0 87 363.801 7 ↓

Analogs

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Popular Name: N-[2-(4-chlorophenoxy)ethyl]-2,5-dimethoxy-benzamide N-[2-(4-chlorophenoxy)ethyl]-2,5…

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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) 4.08 6.6 -12.16 1 5 0 57 335.787 7 ↓

Analogs

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Popular Name: N-[2-(4-chlorophenoxy)ethyl]-5-(ethylsulfamoyl)-2-methyl-benzamide N-[2-(4-chlorophenoxy)ethyl]-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) 3.31 4.23 -13.63 2 6 0 85 396.896 8 ↓

Analogs

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Popular Name: 4-chloro-N-[2-(4-chlorophenoxy)ethyl]-3-methylsulfonyl-benzamide 4-chloro-N-[2-(4-chlorophenoxy)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) 3.40 4.7 -17.55 1 5 0 72 388.272 6 ↓

Analogs

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Popular Name: N-[2-(4-chlorophenoxy)ethyl]-2-methyl-5-methylsulfonyl-benzamide N-[2-(4-chlorophenoxy)ethyl]-2-m…

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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) 2.74 4.98 -14.86 1 5 0 72 367.854 6 ↓

Analogs

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Popular Name: 4-(allylsulfamoyl)-N-[2-(4-chlorophenoxy)ethyl]benzamide 4-(allylsulfamoyl)-N-[2-(4-chlor…

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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) 3.20 4.43 -16.37 2 6 0 85 394.88 9 ↓

Analogs

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Popular Name: N-[2-(4-chlorophenoxy)ethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide N-[2-(4-chlorophenoxy)ethyl]-3,4…

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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) 3.31 4.48 -20.98 2 6 0 85 396.896 7 ↓

Analogs

7269988
7269988

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Popular Name: N-[2-(4-chlorophenoxy)ethyl]terephthalamide N-[2-(4-chlorophenoxy)ethyl]tere…

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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) 2.31 3.56 -16.03 3 5 0 81 318.76 6 ↓

Analogs

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Popular Name: N-[2-(4-chlorophenoxy)ethyl]-3-methanesulfonamido-4-methyl-benzamide N-[2-(4-chlorophenoxy)ethyl]-3-m…

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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 4.24 -19.42 2 6 0 85 382.869 7 ↓
Hi High (pH 8-9.5) 3.10 4.32 -48.25 1 6 -1 87 381.861 7 ↓

Analogs

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Popular Name: N-[2-(4-chlorophenoxy)ethyl]-2-(2-dimethylamino-2-oxo-ethoxy)benzamide N-[2-(4-chlorophenoxy)ethyl]-2-(…

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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) 2.96 8.6 -24.96 1 6 0 68 376.84 8 ↓

Analogs

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Popular Name: 3-(2-aminoethyl)-N-(2-phenoxyethyl)benzamide 3-(2-aminoethyl)-N-(2-phenoxyeth…

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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) 1.77 5.06 -50.67 4 4 1 66 285.367 7 ↓

Parameters Provided:

ring.id = 12748
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 = 12748 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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