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Analogs

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Popular Name: 5-acetamido-2-fluoro-N-[2-(3-pyridyl)ethyl]benzamide 5-acetamido-2-fluoro-N-[2-(3-pyr…

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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) 1.01 4.58 -20.32 2 5 0 71 301.321 5 ↓
Lo Low (pH 4.5-6) 1.01 5.05 -50.31 3 5 1 72 302.329 5 ↓

Analogs

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Popular Name: 3-acetamido-4-fluoro-N-[2-(3-pyridyl)ethyl]benzamide 3-acetamido-4-fluoro-N-[2-(3-pyr…

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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) 1.01 4.63 -20.31 2 5 0 71 301.321 5 ↓
Lo Low (pH 4.5-6) 1.01 5.1 -48.4 3 5 1 72 302.329 5 ↓

Analogs

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

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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) 1.80 6 -12.9 1 4 0 45 269.348 5 ↓

Analogs

39548096
39548096

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Popular Name: 3-fluoro-4-methyl-N-[2-(3-pyridyl)ethyl]benzamide 3-fluoro-4-methyl-N-[2-(3-pyridy…

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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) 2.24 6.32 -14.12 1 3 0 42 258.296 4 ↓
Lo Low (pH 4.5-6) 2.24 6.6 -43.07 2 3 1 43 259.304 4 ↓

Analogs

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Popular Name: 3-(2-aminoethyl)-N-[2-(3-pyridyl)ethyl]benzamide 3-(2-aminoethyl)-N-[2-(3-pyridyl…

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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) 0.66 4.42 -53.07 4 4 1 70 270.356 6 ↓
Lo Low (pH 4.5-6) 0.66 4.89 -88.99 5 4 2 71 271.364 6 ↓

Analogs

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Popular Name: 3-amino-4-nitro-N-[2-(3-pyridyl)ethyl]benzamide 3-amino-4-nitro-N-[2-(3-pyridyl)…

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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 4.39 -13.89 3 7 0 114 286.291 5 ↓
Lo Low (pH 4.5-6) 1.07 4.86 -44.82 4 7 1 115 287.299 5 ↓

Analogs

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Popular Name: 3-fluoro-4-nitro-N-[2-(3-pyridyl)ethyl]benzamide 3-fluoro-4-nitro-N-[2-(3-pyridyl…

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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 6.35 -17.43 1 6 0 88 289.266 5 ↓
Lo Low (pH 4.5-6) 1.75 6.81 -49.72 2 6 1 89 290.274 5 ↓

Analogs

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Popular Name: 3-ethoxy-4-propoxy-N-[2-(3-pyridyl)ethyl]benzamide 3-ethoxy-4-propoxy-N-[2-(3-pyrid…

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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) 2.60 7.46 -16.94 1 5 0 60 328.412 9 ↓
Lo Low (pH 4.5-6) 2.60 7.9 -47.55 2 5 1 62 329.42 9 ↓

Analogs

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Popular Name: 3-chloro-5-ethoxy-4-propoxy-N-[2-(3-pyridyl)ethyl]benzamide 3-chloro-5-ethoxy-4-propoxy-N-[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) 3.40 8.12 -13.22 1 5 0 60 362.857 9 ↓
Lo Low (pH 4.5-6) 3.40 8.56 -44.21 2 5 1 62 363.865 9 ↓

Analogs

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Popular Name: 4-amino-3-nitro-N-[2-(3-pyridyl)ethyl]benzamide 4-amino-3-nitro-N-[2-(3-pyridyl)…

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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 4.29 -23.13 3 7 0 114 286.291 5 ↓
Lo Low (pH 4.5-6) 1.07 4.74 -53.71 4 7 1 115 287.299 5 ↓

Analogs

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Popular Name: 2-chloro-5-(diethylsulfamoyl)-N-[2-(3-pyridyl)ethyl]benzamide 2-chloro-5-(diethylsulfamoyl)-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) 2.37 5.83 -16.93 1 6 0 79 395.912 8 ↓
Lo Low (pH 4.5-6) 2.37 6.27 -46.62 2 6 1 81 396.92 8 ↓

Analogs

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Popular Name: 2,3-dimethyl-N-[2-(3-pyridyl)ethyl]benzamide 2,3-dimethyl-N-[2-(3-pyridyl)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) 2.50 6.62 -12.36 1 3 0 42 254.333 4 ↓
Lo Low (pH 4.5-6) 2.50 7.06 -42.19 2 3 1 43 255.341 4 ↓

Analogs

25521894
25521894
39548056
39548056

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

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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) 1.52 3.31 -24.61 2 6 0 88 347.44 6 ↓
Lo Low (pH 4.5-6) 1.52 3.75 -54.75 3 6 1 89 348.448 6 ↓

Analogs

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Popular Name: tert-butyl tert-butyl

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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) 2.29 5.96 -17.7 2 6 0 80 355.438 8 ↓
Lo Low (pH 4.5-6) 2.29 6.4 -47.77 3 6 1 82 356.446 8 ↓

Analogs

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Popular Name: 3-bromo-2,5-dimethoxy-N-[2-(3-pyridyl)ethyl]benzamide 3-bromo-2,5-dimethoxy-N-[2-(3-py…

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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) 3.03 6.14 -14.29 1 5 0 60 365.227 6 ↓
Lo Low (pH 4.5-6) 3.03 6.58 -44.12 2 5 1 62 366.235 6 ↓

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) 1.55 6.85 -15.85 1 5 0 68 284.315 6 ↓
Lo Low (pH 4.5-6) 1.55 7.13 -46.63 2 5 1 70 285.323 6 ↓

Analogs

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Popular Name: 2-(phenylformamido)-3-(pyridin-3-yl)propanoic acid 2-(phenylformamido)-3-(pyridin-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) -0.52 5.84 -59.14 1 5 -1 82 269.28 5 ↓
Lo Low (pH 4.5-6) -0.52 6.12 -67.42 2 5 0 83 270.288 5 ↓

Analogs

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Popular Name: 2-(isopropylamino)-N-[2-(3-pyridyl)ethyl]benzamide 2-(isopropylamino)-N-[2-(3-pyrid…

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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 6.33 -10.45 2 4 0 54 283.375 6 ↓
Lo Low (pH 4.5-6) 2.85 6.8 -38.49 3 4 1 55 284.383 6 ↓

Analogs

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Popular Name: 4-amino-3,5-difluoro-N-[2-(3-pyridyl)ethyl]benzamide 4-amino-3,5-difluoro-N-[2-(3-pyr…

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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) 1.36 3.67 -11.38 3 4 0 68 277.274 4 ↓
Lo Low (pH 4.5-6) 1.36 4.14 -40.51 4 4 1 69 278.282 4 ↓

Analogs

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Popular Name: 3,5-difluoro-4-(methylamino)-N-[2-(3-pyridyl)ethyl]benzamide 3,5-difluoro-4-(methylamino)-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) 1.74 4.48 -11.37 2 4 0 54 291.301 5 ↓
Lo Low (pH 4.5-6) 1.74 4.95 -40.47 3 4 1 55 292.309 5 ↓

Analogs

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Popular Name: 3,5-difluoro-4-hydrazino-N-[2-(3-pyridyl)ethyl]benzamide 3,5-difluoro-4-hydrazino-N-[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) 1.12 3.49 -12.21 4 5 0 80 292.289 5 ↓
Lo Low (pH 4.5-6) 1.12 3.96 -41.44 5 5 1 81 293.297 5 ↓

Analogs

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Popular Name: 3,4,5-trifluoro-N-[2-(3-pyridyl)ethyl]benzamide 3,4,5-trifluoro-N-[2-(3-pyridyl)…

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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) 2.04 5.79 -11.69 1 3 0 42 280.249 4 ↓
Lo Low (pH 4.5-6) 2.04 6.26 -42.71 2 3 1 43 281.257 4 ↓

Analogs

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Popular Name: 4-fluoro-N-[2-(3-pyridyl)ethyl]benzamide 4-fluoro-N-[2-(3-pyridyl)ethyl]b…

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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) 1.86 5.68 -11.71 1 3 0 42 244.269 4 ↓
Lo Low (pH 4.5-6) 1.86 6.14 -41.06 2 3 1 43 245.277 4 ↓

Analogs

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Popular Name: 2-hydroxy-3-methoxy-N-[2-(3-pyridyl)ethyl]benzamide 2-hydroxy-3-methoxy-N-[2-(3-pyri…

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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) 1.79 3.91 -16.49 2 5 0 71 272.304 5 ↓
Hi High (pH 8-9.5) 1.79 4.98 -61.69 1 5 -1 74 271.296 5 ↓
Lo Low (pH 4.5-6) 1.79 4.38 -44.76 3 5 1 73 273.312 5 ↓

Analogs

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Popular Name: 2-hydroxy-4-methyl-N-[2-(3-pyridyl)ethyl]benzamide 2-hydroxy-4-methyl-N-[2-(3-pyrid…

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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) 2.61 4.83 -13.99 2 4 0 62 256.305 4 ↓
Hi High (pH 8-9.5) 2.61 5.83 -59.4 1 4 -1 65 255.297 4 ↓
Lo Low (pH 4.5-6) 2.61 5.29 -41.76 3 4 1 63 257.313 4 ↓

Analogs

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Popular Name: 4-chloro-2-hydroxy-N-[2-(3-pyridyl)ethyl]benzamide 4-chloro-2-hydroxy-N-[2-(3-pyrid…

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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 4.67 -13.08 2 4 0 62 276.723 4 ↓
Hi High (pH 8-9.5) 2.84 5.68 -53.89 1 4 -1 65 275.715 4 ↓
Lo Low (pH 4.5-6) 2.84 5.14 -42.42 3 4 1 63 277.731 4 ↓

Analogs

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Popular Name: 4-hydroxy-N-[2-(3-pyridyl)ethyl]benzamide 4-hydroxy-N-[2-(3-pyridyl)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) 1.22 2.78 -13.28 2 4 0 62 242.278 4 ↓
Lo Low (pH 4.5-6) 1.22 3.25 -41.8 3 4 1 63 243.286 4 ↓

Analogs

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Popular Name: 3-bromo-N-[2-(3-pyridyl)ethyl]benzamide 3-bromo-N-[2-(3-pyridyl)ethyl]be…

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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) 2.48 6.23 -10.12 1 3 0 42 305.175 4 ↓
Lo Low (pH 4.5-6) 2.48 6.7 -38.45 2 3 1 43 306.183 4 ↓

Analogs

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Popular Name: 2-hydroxy-3-methyl-N-[2-(3-pyridyl)ethyl]benzamide 2-hydroxy-3-methyl-N-[2-(3-pyrid…

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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) 2.38 4.86 -13.82 2 4 0 62 256.305 4 ↓
Hi High (pH 8-9.5) 2.38 5.86 -56.51 1 4 -1 65 255.297 4 ↓
Lo Low (pH 4.5-6) 2.38 5.33 -41.84 3 4 1 63 257.313 4 ↓

Analogs

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Popular Name: 3-hydroxy-N-[2-(3-pyridyl)ethyl]benzamide 3-hydroxy-N-[2-(3-pyridyl)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) 1.20 2.76 -14.64 2 4 0 62 242.278 4 ↓
Lo Low (pH 4.5-6) 1.20 3.22 -43.08 3 4 1 63 243.286 4 ↓

Analogs

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Popular Name: 3-hydroxy-4-methyl-N-[2-(3-pyridyl)ethyl]benzamide 3-hydroxy-4-methyl-N-[2-(3-pyrid…

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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) 2.06 3.5 -14.38 2 4 0 62 256.305 4 ↓
Lo Low (pH 4.5-6) 2.06 3.97 -42.93 3 4 1 63 257.313 4 ↓

Analogs

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

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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) 1.79 4.07 -11.61 3 4 0 68 275.739 4 ↓
Lo Low (pH 4.5-6) 1.79 4.54 -40.54 4 4 1 69 276.747 4 ↓

Analogs

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Popular Name: 3-amino-N-[2-(3-pyridyl)ethyl]benzamide 3-amino-N-[2-(3-pyridyl)ethyl]be…

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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) 0.75 3.49 -12.69 3 4 0 68 241.294 4 ↓
Lo Low (pH 4.5-6) 0.75 3.95 -40.54 4 4 1 69 242.302 4 ↓

Analogs

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Popular Name: 5-amino-2-chloro-N-[2-(3-pyridyl)ethyl]benzamide 5-amino-2-chloro-N-[2-(3-pyridyl…

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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) 1.38 4 -13.71 3 4 0 68 275.739 4 ↓
Lo Low (pH 4.5-6) 1.38 4.47 -41.63 4 4 1 69 276.747 4 ↓

Analogs

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Popular Name: 4-amino-N-[2-(3-pyridyl)ethyl]benzamide 4-amino-N-[2-(3-pyridyl)ethyl]be…

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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) 0.77 3.48 -13.11 3 4 0 68 241.294 4 ↓
Lo Low (pH 4.5-6) 0.77 3.95 -40.62 4 4 1 69 242.302 4 ↓

Analogs

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

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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) 1.79 4.33 -9.91 3 4 0 68 275.739 4 ↓
Lo Low (pH 4.5-6) 1.79 4.8 -39.32 4 4 1 69 276.747 4 ↓

Analogs

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

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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) 1.38 4 -14.3 3 4 0 68 275.739 4 ↓
Lo Low (pH 4.5-6) 1.38 4.47 -41.79 4 4 1 69 276.747 4 ↓

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Popular Name: 4-amino-3-methyl-N-[2-(3-pyridyl)ethyl]benzamide 4-amino-3-methyl-N-[2-(3-pyridyl…

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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 4.25 -13.31 3 4 0 68 255.321 4 ↓
Lo Low (pH 4.5-6) 1.56 4.72 -40.7 4 4 1 69 256.329 4 ↓

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Popular Name: 2-amino-5-chloro-N-[2-(3-pyridyl)ethyl]benzamide 2-amino-5-chloro-N-[2-(3-pyridyl…

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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) 1.79 4.33 -9 3 4 0 68 275.739 4 ↓
Lo Low (pH 4.5-6) 1.79 4.8 -37.61 4 4 1 69 276.747 4 ↓

Analogs

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Popular Name: 3-amino-4-methoxy-N-[2-(3-pyridyl)ethyl]benzamide 3-amino-4-methoxy-N-[2-(3-pyridy…

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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 2.9 -13.27 3 5 0 77 271.32 5 ↓
Lo Low (pH 4.5-6) 1.17 3.37 -41.65 4 5 1 78 272.328 5 ↓

Analogs

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Popular Name: 3-amino-2-methyl-N-[2-(3-pyridyl)ethyl]benzamide 3-amino-2-methyl-N-[2-(3-pyridyl…

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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) 1.53 4.28 -11.51 3 4 0 68 255.321 4 ↓
Lo Low (pH 4.5-6) 1.53 4.75 -39.32 4 4 1 69 256.329 4 ↓

Analogs

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Popular Name: 2-amino-3-methyl-N-[2-(3-pyridyl)ethyl]benzamide 2-amino-3-methyl-N-[2-(3-pyridyl…

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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) 1.53 4.59 -10.39 3 4 0 68 255.321 4 ↓
Lo Low (pH 4.5-6) 1.53 5.06 -38.54 4 4 1 69 256.329 4 ↓

Analogs

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Popular Name: 3-amino-4-methyl-N-[2-(3-pyridyl)ethyl]benzamide 3-amino-4-methyl-N-[2-(3-pyridyl…

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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 4.24 -12.6 3 4 0 68 255.321 4 ↓
Lo Low (pH 4.5-6) 1.56 4.71 -40.43 4 4 1 69 256.329 4 ↓

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Popular Name: 2-amino-6-methyl-N-[2-(3-pyridyl)ethyl]benzamide 2-amino-6-methyl-N-[2-(3-pyridyl…

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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) 1.53 3.9 -11.05 3 4 0 68 255.321 4 ↓
Lo Low (pH 4.5-6) 1.53 4.37 -39.31 4 4 1 69 256.329 4 ↓

Analogs

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Popular Name: 3-amino-4-fluoro-N-[2-(3-pyridyl)ethyl]benzamide 3-amino-4-fluoro-N-[2-(3-pyridyl…

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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) 1.27 3.58 -12.11 3 4 0 68 259.284 4 ↓
Lo Low (pH 4.5-6) 1.27 4.04 -41.26 4 4 1 69 260.292 4 ↓

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Popular Name: 5-amino-2-fluoro-N-[2-(3-pyridyl)ethyl]benzamide 5-amino-2-fluoro-N-[2-(3-pyridyl…

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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) 0.87 3.56 -16.27 3 4 0 68 259.284 4 ↓
Lo Low (pH 4.5-6) 0.87 4.03 -44.11 4 4 1 69 260.292 4 ↓

Analogs

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Popular Name: 2-amino-5-fluoro-N-[2-(3-pyridyl)ethyl]benzamide 2-amino-5-fluoro-N-[2-(3-pyridyl…

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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) 1.27 3.88 -9.47 3 4 0 68 259.284 4 ↓
Lo Low (pH 4.5-6) 1.27 4.34 -38.06 4 4 1 69 260.292 4 ↓

Analogs

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Popular Name: 3-amino-5-fluoro-4-methyl-N-[2-(3-pyridyl)ethyl]benzamide 3-amino-5-fluoro-4-methyl-N-[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) 1.65 4.29 -10.93 3 4 0 68 273.311 4 ↓
Lo Low (pH 4.5-6) 1.65 4.76 -39.27 4 4 1 69 274.319 4 ↓

Analogs

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Popular Name: 3-(aminomethyl)-N-[2-(3-pyridyl)ethyl]benzamide 3-(aminomethyl)-N-[2-(3-pyridyl)…

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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) 0.86 3.64 -52.41 4 4 1 70 256.329 5 ↓
Hi High (pH 8-9.5) 0.86 3.23 -12.19 3 4 0 68 255.321 5 ↓
Lo Low (pH 4.5-6) 0.86 4.1 -88.84 5 4 2 71 257.337 5 ↓

Analogs

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Popular Name: 4-(chloromethyl)-N-[2-(3-pyridyl)ethyl]benzamide 4-(chloromethyl)-N-[2-(3-pyridyl…

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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 6.9 -12.8 1 3 0 42 274.751 5 ↓
Lo Low (pH 4.5-6) 2.27 7.36 -41.24 2 3 1 43 275.759 5 ↓

Parameters Provided:

ring.id = 48716
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 = 48716 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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