UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

36393382
36393382

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Popular Name: 3-(3-methylphenoxy)-N-(4-methyl-3-sulfamoyl-phenyl)-propanamide 3-(3-methylphenoxy)-N-(4-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) 2.56 -5.31 -15.37 3 6 0 98 348.424 6 ↓

Analogs

16832772
16832772
21641687
21641687

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Popular Name: N-(4-methylsulfanylphenyl)-3-phenoxy-propanamide N-(4-methylsulfanylphenyl)-3-phe…

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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 -0.37 -10.35 1 3 0 38 287.384 6 ↓

Analogs

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Popular Name: N-(4-methylsulfonylphenyl)-3-phenoxy-propanamide N-(4-methylsulfonylphenyl)-3-phe…

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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) 1.94 -3.63 -17.86 1 5 0 72 319.382 6 ↓

Analogs

6285086
6285086

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Popular Name: N-(2-methylsulfanylphenyl)-3-phenoxy-propanamide N-(2-methylsulfanylphenyl)-3-phe…

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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) 3.45 -0.11 -8.38 1 3 0 38 287.384 6 ↓

Analogs

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Popular Name: N-(2-methylsulfonylphenyl)-3-phenoxy-propanamide N-(2-methylsulfonylphenyl)-3-phe…

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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) 2.33 -2.81 -13.34 1 5 0 72 319.382 6 ↓

Analogs

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Popular Name: N-[3-(hydroxymethyl)phenyl]-3-(2-methoxy-4-methyl-phenoxy)propanamide N-[3-(hydroxymethyl)phenyl]-3-(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) 2.42 4.71 -14.23 2 5 0 68 315.369 7 ↓

Analogs

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Popular Name: N-[3-(hydroxymethyl)phenyl]-3-(4-isopropylphenoxy)propanamide N-[3-(hydroxymethyl)phenyl]-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) 3.89 6.07 -12.1 2 4 0 59 313.397 7 ↓

Analogs

43474846
43474846

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Popular Name: N-(4-aminophenyl)-3-(3-ethylphenoxy)propanamide N-(4-aminophenyl)-3-(3-ethylphen…

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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) 3.04 6.07 -12.38 3 4 0 64 284.359 6 ↓

Analogs

43474842
43474842

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Popular Name: N-(3-amino-4-methyl-phenyl)-3-(3-methylphenoxy)propanamide N-(3-amino-4-methyl-phenyl)-3-(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) 3.35 6.1 -11.95 3 4 0 64 284.359 5 ↓

Analogs

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Popular Name: N-(2-amino-4-fluoro-phenyl)-3-(4-chlorophenoxy)propanamide N-(2-amino-4-fluoro-phenyl)-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) 3.32 5.57 -13.31 3 4 0 64 308.74 5 ↓

Analogs

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Popular Name: N-(3-amino-4-fluoro-phenyl)-3-(4-chlorophenoxy)propanamide N-(3-amino-4-fluoro-phenyl)-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) 3.32 5.25 -11.53 3 4 0 64 308.74 5 ↓

Analogs

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Popular Name: N-(3-aminophenyl)-3-(2,4-dichlorophenoxy)propanamide N-(3-aminophenyl)-3-(2,4-dichlor…

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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 5.73 -10.64 3 4 0 64 325.195 5 ↓

Analogs

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Popular Name: 3-(2-chlorophenoxy)-N-(2-cyanophenyl)propanamide 3-(2-chlorophenoxy)-N-(2-cyanoph…

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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 7.8 -9.54 1 4 0 62 300.745 5 ↓

Analogs

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Popular Name: N-(3-amino-4-chloro-phenyl)-3-(3-bromophenoxy)propanamide N-(3-amino-4-chloro-phenyl)-3-(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) 3.94 5.87 -10.52 3 4 0 64 369.646 5 ↓

Analogs

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Popular Name: N-(2-aminophenyl)-3-(2-bromo-4-chloro-phenoxy)propanamide N-(2-aminophenyl)-3-(2-bromo-4-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) 3.92 6.17 -11.71 3 4 0 64 369.646 5 ↓

Analogs

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Popular Name: N-(4-aminophenyl)-3-(4-chloro-2-methyl-phenoxy)propanamide N-(4-aminophenyl)-3-(4-chloro-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) 3.20 5.87 -11.91 3 4 0 64 304.777 5 ↓

Analogs

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Popular Name: N-(2-amino-5-chloro-phenyl)-3-(3-bromophenoxy)propanamide N-(2-amino-5-chloro-phenyl)-3-(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) 3.94 6.12 -13.73 3 4 0 64 369.646 5 ↓

Analogs

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Popular Name: N-(3-aminophenyl)-3-(2-bromo-4-fluoro-phenoxy)propanamide N-(3-aminophenyl)-3-(2-bromo-4-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) 3.02 5.4 -10.97 3 4 0 64 353.191 5 ↓

Analogs

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Popular Name: N-(2-amino-4,6-dichloro-phenyl)-3-phenoxy-propanamide N-(2-amino-4,6-dichloro-phenyl)-…

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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) 3.76 6.22 -11.69 3 4 0 64 325.195 5 ↓

Analogs

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Popular Name: N-(2-aminoethyl)-3-phenoxy-N-(p-tolyl)propanamide N-(2-aminoethyl)-3-phenoxy-N-(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) 1.90 7.42 -58.71 3 4 1 57 299.394 7 ↓

Analogs

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Popular Name: N-(2-aminoethyl)-N-(2-fluorophenyl)-3-phenoxy-propanamide N-(2-aminoethyl)-N-(2-fluorophen…

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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) 1.56 6.95 -60.5 3 4 1 57 303.357 7 ↓

Analogs

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Popular Name: N-(2-aminoethyl)-N-(3-fluorophenyl)-3-phenoxy-propanamide N-(2-aminoethyl)-N-(3-fluorophen…

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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) 1.59 6.87 -61.6 3 4 1 57 303.357 7 ↓

Analogs

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Popular Name: N-(2-aminoethyl)-N-(4-fluorophenyl)-3-phenoxy-propanamide N-(2-aminoethyl)-N-(4-fluorophen…

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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) 1.61 6.83 -61.66 3 4 1 57 303.357 7 ↓

Analogs

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Popular Name: N-(2-cyano-3-fluoro-phenyl)-3-phenoxy-propanamide N-(2-cyano-3-fluoro-phenyl)-3-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) 2.89 7.29 -9.13 1 4 0 62 284.29 5 ↓

Analogs

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Popular Name: 3-(2-methoxyphenoxy)-N-(4-methylsulfanylphenyl)-propanamide 3-(2-methoxyphenoxy)-N-(4-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) 3.12 -0.05 -11.35 1 4 0 48 317.41 7 ↓

Analogs

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Popular Name: 3-(2,5-dimethylphenoxy)-N-(4-methylsulfanylphenyl)-propanamide 3-(2,5-dimethylphenoxy)-N-(4-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) 4.33 0.36 -9.81 1 3 0 38 315.438 6 ↓

Analogs

6478896
6478896
2624059
2624059

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Popular Name: N-(3-cyanophenyl)-3-(3,5-dimethylphenoxy)propanamide N-(3-cyanophenyl)-3-(3,5-dimethy…

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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) 3.62 8.53 -13.89 1 4 0 62 294.354 5 ↓

Analogs

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Popular Name: N-(5-acetamido-2-methoxy-phenyl)-3-(3,4-dimethylphenoxy)propanamide N-(5-acetamido-2-methoxy-phenyl)…

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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 6.34 -13.11 2 6 0 77 356.422 7 ↓

Analogs

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Popular Name: 3-(3,4-dimethylphenoxy)-N-(2-ethoxyphenyl)propanamide 3-(3,4-dimethylphenoxy)-N-(2-eth…

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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) 4.28 8.39 -8.74 1 4 0 48 313.397 7 ↓

Analogs

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Popular Name: methyl 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) 4.04 8.69 -16.72 1 5 0 65 327.38 7 ↓

Analogs

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Popular Name: N-(3-acetylphenyl)-3-(3,4-dimethylphenoxy)propanamide N-(3-acetylphenyl)-3-(3,4-dimeth…

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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 8.41 -17.55 1 4 0 55 311.381 6 ↓

Analogs

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Popular Name: 2-[[4-[3-(2-ethoxyphenoxy)propanoylamino]benzoyl]amino]acetic 2-[[4-[3-(2-ethoxyphenoxy)propan…

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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) 0.58 5.86 -53.61 2 8 -1 117 385.396 10 ↓

Analogs

13169816
13169816

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Popular Name: 3-[3-(2-ethoxyphenoxy)propanoylamino]-4-methyl-benzoic 3-[3-(2-ethoxyphenoxy)propanoyla…

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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) 3.35 8.1 -67.34 1 6 -1 88 342.371 8 ↓

Analogs

13094616
13094616

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Popular Name: 3-[3-(2-ethoxyphenoxy)propanoylamino]benzoic 3-[3-(2-ethoxyphenoxy)propanoyla…

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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) 2.95 7.26 -66.77 1 6 -1 88 328.344 8 ↓

Analogs

13166608
13166608

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Popular Name: 4-[3-(2-ethoxyphenoxy)propanoylamino]benzoic 4-[3-(2-ethoxyphenoxy)propanoyla…

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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 7.27 -58.97 1 6 -1 88 328.344 8 ↓

Analogs

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Popular Name: 5-chloro-2-[3-(2-ethoxyphenoxy)propanoylamino]benzoic 5-chloro-2-[3-(2-ethoxyphenoxy)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) 3.76 8.1 -47.33 1 6 -1 88 362.789 8 ↓

Analogs

13177984
13177984

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Popular Name: 5-bromo-2-[3-(2-ethoxyphenoxy)propanoylamino]benzoic 5-bromo-2-[3-(2-ethoxyphenoxy)pr…

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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 8.21 -47.29 1 6 -1 88 407.24 8 ↓

Analogs

13168781
13168781

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Popular Name: 2-[3-(2-ethoxyphenoxy)propanoylamino]-4,5-dimethoxy-benzoic 2-[3-(2-ethoxyphenoxy)propanoyla…

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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) 2.72 6.85 -50.25 1 8 -1 106 388.396 10 ↓

Analogs

13172028
13172028

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Popular Name: 5-chloro-4-[3-(2-ethoxyphenoxy)propanoylamino]-2-methoxy-benzoic 5-chloro-4-[3-(2-ethoxyphenoxy)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) 3.64 7.95 -57.88 1 7 -1 97 392.815 9 ↓

Analogs

13095093
13095093

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Popular Name: 2-[3-(2-ethoxyphenoxy)propanoylamino]benzoic 2-[3-(2-ethoxyphenoxy)propanoyla…

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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 7.62 -51.49 1 6 -1 88 328.344 8 ↓

Analogs

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Popular Name: N-(3-fluorophenyl)-3-[4-(3-oxobutyl)phenoxy]propanamide N-(3-fluorophenyl)-3-[4-(3-oxobu…

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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) 3.45 9.02 -15.29 1 4 0 55 329.371 8 ↓

Analogs

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Popular Name: 3-(2,4-dimethylphenoxy)-N-phenyl-propanamide 3-(2,4-dimethylphenoxy)-N-phenyl…

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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 8.24 -9.27 1 3 0 38 269.344 5 ↓

Analogs

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Popular Name: 3-(2-bromophenoxy)-N-(3-sulfamoylphenyl)propanamide 3-(2-bromophenoxy)-N-(3-sulfamoy…

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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) 2.50 2.44 -17.42 3 6 0 98 399.266 6 ↓

Analogs

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Popular Name: 4-[3-(4-chlorophenoxy)propanoylamino]benzamide 4-[3-(4-chlorophenoxy)propanoyla…

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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 4.14 -16.65 3 5 0 81 318.76 6 ↓

Analogs

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Popular Name: N-(4-acetylphenyl)-3-(2-chloro-4-fluoro-phenoxy)propanamide N-(4-acetylphenyl)-3-(2-chloro-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) 3.74 7.93 -11.79 1 4 0 55 335.762 6 ↓

Analogs

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Popular Name: 3-(2-chloro-4-fluoro-phenoxy)-N-(3-sulfamoylphenyl)propanamide 3-(2-chloro-4-fluoro-phenoxy)-N-…

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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) 2.51 2.39 -14.42 3 6 0 98 372.805 6 ↓

Analogs

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Popular Name: 4-[3-(2-chloro-4-fluoro-phenoxy)propanoylamino]benzamide 4-[3-(2-chloro-4-fluoro-phenoxy)…

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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) 2.66 4.25 -16.37 3 5 0 81 336.75 6 ↓

Analogs

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Popular Name: (E)-3-[4-[3-(2-fluorophenoxy)propanoylamino]phenyl]prop-2-enoic (E)-3-[4-[3-(2-fluorophenoxy)pro…

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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) 3.16 7.74 -59.05 1 5 -1 78 328.319 7 ↓

Analogs

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Popular Name: (E)-3-[4-[3-(4-tert-butylphenoxy)propanoylamino]phenyl]prop-2-enoic (E)-3-[4-[3-(4-tert-butylphenoxy…

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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) 4.75 9.99 -58.38 1 5 -1 78 366.437 8 ↓

Analogs

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Popular Name: (E)-3-[4-[3-(2-methoxyphenoxy)propanoylamino]phenyl]prop-2-enoic (E)-3-[4-[3-(2-methoxyphenoxy)pr…

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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) 2.65 7.56 -60.34 1 6 -1 88 340.355 8 ↓

Parameters Provided:

ring.id = 5847
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 = 5847 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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