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

Draw Identity 99% 90% 80% 70%

Popular Name: Fema 2535 Fema 2535

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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) 2.70 3.32 -10.49 0 3 0 35 242.274 5 ↓

Analogs

13907152
13907152

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Popular Name: (2-methoxyphenyl) (2-methoxyphenyl)

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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 12.36 -9.49 0 3 0 36 312.409 7 ↓

Analogs

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Popular Name: [4-[(2-methylsulfanylacetyl)amino]phenyl] [4-[(2-methylsulfanylacetyl)amin…

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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 10.51 -15.78 1 4 0 55 343.448 7 ↓

Analogs

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Popular Name: [4-(methanesulfonamido)phenyl] [4-(methanesulfonamido)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) 3.97 7.68 -44.05 0 5 -1 75 366.846 6 ↓
Lo Low (pH 4.5-6) 3.97 7.5 -15.43 1 5 0 72 367.854 6 ↓

Analogs

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Popular Name: (4-cyano-2-ethoxy-phenyl) (4-cyano-2-ethoxy-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) 2.85 9.19 -12.58 0 6 0 78 341.363 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-acetylphenyl) (4-acetylphenyl)

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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) 3.88 10.98 -12.79 0 3 0 43 322.282 6 ↓

Analogs

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Popular Name: (2-chloro-4-cyano-phenyl) (2-chloro-4-cyano-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) 3.85 10.92 -9.61 0 3 0 50 285.73 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-cyano-2-ethoxy-phenyl) (4-cyano-2-ethoxy-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) 2.94 10.6 -11.33 0 4 0 59 299.301 6 ↓

Analogs

7406233
7406233

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Popular Name: (4-cyano-2-ethoxy-phenyl) (4-cyano-2-ethoxy-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) 2.86 9.83 -12.04 0 5 0 69 311.337 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-cyano-2-ethoxy-phenyl) (4-cyano-2-ethoxy-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) 2.45 9.73 -14.61 0 6 0 78 341.363 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-cyano-2-ethoxy-phenyl) (4-cyano-2-ethoxy-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) 2.84 9.83 -11.84 0 5 0 69 311.337 7 ↓

Analogs

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Popular Name: (5-fluoro-2-nitro-phenyl) (5-fluoro-2-nitro-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) 4.11 11.43 -10.22 0 5 0 72 303.289 5 ↓

Analogs

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Popular Name: (5-fluoro-2-nitro-phenyl) (5-fluoro-2-nitro-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) 4.42 11.49 -9.02 0 5 0 72 344.125 5 ↓

Analogs

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Popular Name: (5-fluoro-2-nitro-phenyl) (5-fluoro-2-nitro-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) 4.39 11.39 -10.27 0 5 0 72 344.125 5 ↓

Analogs

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Popular Name: (2,4,6-trichlorophenyl) (2,4,6-trichlorophenyl)

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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) 4.88 11.47 -11.7 0 5 0 72 360.58 5 ↓

Analogs

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Popular Name: (2,4-dichlorophenyl) (2,4-dichlorophenyl)

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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 10.98 -11.36 0 5 0 72 326.135 5 ↓

Analogs

44672548
44672548

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Popular Name: ethyl 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) 3.52 11.55 -15.73 0 7 0 98 329.308 8 ↓

Analogs

44672562
44672562

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Popular Name: ethyl 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) 3.56 11.75 -17.03 0 7 0 98 329.308 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(2-methoxy-2-oxo-ethyl)phenyl] [4-(2-methoxy-2-oxo-ethyl)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) 3.16 10.23 -13.97 0 5 0 62 314.337 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(2-methoxy-2-oxo-ethyl)phenyl] [4-(2-methoxy-2-oxo-ethyl)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) 4.27 12.07 -11.16 0 4 0 53 312.365 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(2-methoxy-2-oxo-ethyl)phenyl] [4-(2-methoxy-2-oxo-ethyl)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) 4.27 12.07 -11.03 0 4 0 53 312.365 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-acetyl-2-methoxy-phenyl) (4-acetyl-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) 3.20 10.07 -13.21 0 4 0 53 318.756 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-acetyl-2-methoxy-phenyl) (4-acetyl-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) 2.71 9.78 -14.45 0 4 0 53 302.301 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-acetyl-2-methoxy-phenyl) (4-acetyl-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) 3.25 10.16 -14.05 0 4 0 53 318.756 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-acetyl-2-methoxy-phenyl) (4-acetyl-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) 2.74 9.71 -14.68 0 4 0 53 302.301 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-acetyl-2-methoxy-phenyl) (4-acetyl-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) 3.44 10.74 -14.47 0 4 0 53 352.308 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-acetyl-2-methoxy-phenyl) (4-acetyl-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) 2.69 9.68 -14.21 0 4 0 53 302.301 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-acetyl-2-methoxy-phenyl) (4-acetyl-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) 2.53 10.43 -18.49 0 7 0 98 329.308 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-acetamidophenyl) (4-acetamidophenyl)

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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) 2.34 7.03 -16.81 1 6 0 74 329.352 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2-methoxyphenyl) (2-methoxyphenyl)

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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) 3.47 10.14 -11.58 0 4 0 45 300.354 7 ↓

Analogs

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Popular Name: (2-acetyl-5-methoxy-phenyl) (2-acetyl-5-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) 3.74 10.96 -14.89 0 5 0 62 342.391 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-acetyl-2-methoxy-phenyl) (4-acetyl-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) 3.34 10.54 -15.07 0 5 0 62 342.391 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-(methylcarbamoyl)phenyl] [3-(methylcarbamoyl)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) 3.02 8.68 -15.8 1 5 0 65 327.38 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3-carbamoylphenyl) (3-carbamoylphenyl)

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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 7.18 -15.75 2 5 0 79 313.353 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-(dimethylcarbamoyl)-2-methyl-phenyl] [5-(dimethylcarbamoyl)-2-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) 3.20 10.91 -16.39 0 5 0 56 355.434 7 ↓

Analogs

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Popular Name: (4-propanoylphenyl) (4-propanoylphenyl)

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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 10.83 -12.68 0 3 0 43 286.302 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-propanoylphenyl) (4-propanoylphenyl)

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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 10.12 -12.24 0 4 0 53 298.338 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-propanoylphenyl) (4-propanoylphenyl)

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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 11.48 -16.52 0 6 0 89 313.309 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-propanoylphenyl) (4-propanoylphenyl)

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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 10.81 -12.59 0 3 0 43 286.302 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-propanoylphenyl) (4-propanoylphenyl)

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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 11.28 -17.83 0 6 0 89 313.309 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-propanoylphenyl) (4-propanoylphenyl)

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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) 3.52 10.06 -13.03 0 4 0 53 298.338 7 ↓

Analogs

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Popular Name: (2-allylphenyl) (2-allylphenyl)

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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 10.53 -13.88 0 5 0 54 342.391 9 ↓

Analogs

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Popular Name: benzeneacetic acid, 4-methoxy-, 2-carboxy-4-chlorophenyl ester benzeneacetic acid, 4-methoxy-, …

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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 10.16 -55.33 0 5 -1 76 319.72 6 ↓

Analogs

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Popular Name: benzeneacetic acid, 2-carboxy-4-chlorophenyl ester benzeneacetic acid, 2-carboxy-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) 3.68 10.86 -54.25 0 4 -1 66 289.694 5 ↓

Analogs

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Popular Name: benzeneacetic acid, 4-chloro-, 2-carboxy-4-chlorophenyl ester benzeneacetic acid, 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) 4.36 11.38 -52.25 0 4 -1 66 324.139 5 ↓

Analogs

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Popular Name: benzeneacetic acid, 2-methyl-, 2-carboxy-4-chlorophenyl ester benzeneacetic acid, 2-methyl-, 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) 4.08 11.39 -54.5 0 4 -1 66 303.721 5 ↓

Analogs

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Popular Name: benzeneacetic acid, a-methyl-4-(2-methylpropyl)-, 2-carboxy-4-chlorophenyl ester benzeneacetic acid, a-methyl-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) 5.78 14.03 -53.34 0 4 -1 66 359.829 7 ↓

Analogs

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Popular Name: benzeneacetic acid, a-methyl-4-(2-methylpropyl)-, 2-carboxy-4-chlorophenyl ester benzeneacetic acid, a-methyl-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) 5.78 14.03 -55.82 0 4 -1 66 359.829 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzeneacetic acid, 4-methoxy-, 2-carboxyphenyl ester benzeneacetic acid, 4-methoxy-, …

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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) 3.08 9.65 -59.74 0 5 -1 76 285.275 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzeneacetic acid, 2-carboxyphenyl ester benzeneacetic acid, 2-carboxyphe…

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) 3.03 10.35 -58.88 0 4 -1 66 255.249 5 ↓

Parameters Provided:

ring.id = 259
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 = 259 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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