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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-(3-aminophenyl)-3-[(6-methyl-3-pyridyl)methyl]urea 1-(3-aminophenyl)-3-[(6-methyl-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) 0.71 2.6 -10.49 4 5 0 80 256.309 3 ↓
Lo Low (pH 4.5-6) 0.71 3.04 -38.91 5 5 1 81 257.317 3 ↓

Analogs

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Popular Name: 1-(4-aminophenyl)-3-[(6-methyl-3-pyridyl)methyl]urea 1-(4-aminophenyl)-3-[(6-methyl-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) 0.74 2.58 -10.61 4 5 0 80 256.309 3 ↓
Lo Low (pH 4.5-6) 0.74 3.02 -38.85 5 5 1 81 257.317 3 ↓

Analogs

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Popular Name: 1-(2-bromo-4-fluoro-phenyl)-3-[[2-(dimethylamino)-3-pyridyl]methyl]urea 1-(2-bromo-4-fluoro-phenyl)-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) 2.90 7.49 -36.06 3 5 1 59 368.23 4 ↓
Mid Mid (pH 6-8) 2.90 7 -7.72 2 5 0 57 367.222 4 ↓

Analogs

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Popular Name: 1-(2-bromo-4-fluoro-phenyl)-3-[(6-isopropoxy-3-pyridyl)methyl]urea 1-(2-bromo-4-fluoro-phenyl)-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) 3.65 5.27 -7.64 2 5 0 63 382.233 5 ↓

Analogs

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Popular Name: 1-(2-bromo-4-fluoro-phenyl)-3-[(1S)-1-(3-pyridyl)ethyl]urea 1-(2-bromo-4-fluoro-phenyl)-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) 3.07 5.78 -7.18 2 4 0 54 338.18 3 ↓
Lo Low (pH 4.5-6) 3.07 6.27 -40.17 3 4 1 55 339.188 3 ↓

Analogs

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Popular Name: 1-(2-bromo-4-fluoro-phenyl)-3-[(1R)-1-(3-pyridyl)ethyl]urea 1-(2-bromo-4-fluoro-phenyl)-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) 3.07 5.75 -7.03 2 4 0 54 338.18 3 ↓
Lo Low (pH 4.5-6) 3.07 6.23 -40.19 3 4 1 55 339.188 3 ↓

Analogs

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Popular Name: 1-(2-bromo-4-fluoro-phenyl)-3-(3-pyridylmethyl)urea 1-(2-bromo-4-fluoro-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) 2.51 4.94 -7.41 2 4 0 54 324.153 3 ↓
Lo Low (pH 4.5-6) 2.51 5.41 -40.04 3 4 1 55 325.161 3 ↓

Analogs

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Popular Name: 3-(2,5-dimethoxyphenyl)-1-[(2-dimethylamino-3-pyridyl)methyl]urea 3-(2,5-dimethoxyphenyl)-1-[(2-di…

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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 -3.22 -40.48 3 7 1 77 331.396 6 ↓

Analogs

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Popular Name: 1-(2-chloro-4-methoxy-phenyl)-3-[(6-isopropoxy-3-pyridyl)methyl]urea 1-(2-chloro-4-methoxy-phenyl)-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) 3.41 4.35 -8.97 2 6 0 72 349.818 6 ↓

Analogs

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Popular Name: 1-(2-chloro-4-methoxy-phenyl)-3-[[6-(2,2,2-trifluoroethoxy)-3-pyridyl]methyl]urea 1-(2-chloro-4-methoxy-phenyl)-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) 3.59 3.87 -9.45 2 6 0 72 389.761 7 ↓

Analogs

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Popular Name: 1-[4-(isopropylsulfamoyl)phenyl]-3-(3-pyridylmethyl)urea 1-[4-(isopropylsulfamoyl)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) 1.35 1.65 -14.98 3 7 0 100 348.428 6 ↓
Lo Low (pH 4.5-6) 1.35 2.2 -48.72 4 7 1 101 349.436 6 ↓

Analogs

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Popular Name: 1-(3-butoxyphenyl)-3-[(2-methoxy-3-pyridyl)methyl]urea 1-(3-butoxyphenyl)-3-[(2-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) 3.42 4.4 -10.84 2 6 0 72 329.4 8 ↓

Analogs

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Popular Name: N-[4-chloro-3-[(2-methoxy-3-pyridyl)methylcarbamoylamino]phenyl]acetamide N-[4-chloro-3-[(2-methoxy-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) 1.78 2.18 -13.4 3 7 0 92 348.79 5 ↓

Analogs

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Popular Name: N-[4-chloro-3-(3-pyridylmethylcarbamoylamino)phenyl]acetamide N-[4-chloro-3-(3-pyridylmethylca…

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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) 1.43 3.65 -12.65 3 6 0 83 318.764 4 ↓
Lo Low (pH 4.5-6) 1.43 4.11 -45.83 4 6 1 84 319.772 4 ↓

Analogs

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Popular Name: 2-chloro-4-[(2-methoxy-3-pyridyl)methylcarbamoylamino]-N-methyl-benzamide 2-chloro-4-[(2-methoxy-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 1.44 -20.08 3 7 0 92 348.79 5 ↓

Analogs

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Popular Name: 2-chloro-N-methyl-4-(3-pyridylmethylcarbamoylamino)benzamide 2-chloro-N-methyl-4-(3-pyridylme…

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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) 1.41 2.9 -19.31 3 6 0 83 318.764 4 ↓
Lo Low (pH 4.5-6) 1.41 3.37 -52.97 4 6 1 84 319.772 4 ↓

Analogs

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Popular Name: 1-(4-ethoxy-3-fluoro-phenyl)-3-[(6-isopropoxy-3-pyridyl)methyl]urea 1-(4-ethoxy-3-fluoro-phenyl)-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) 3.27 4.7 -11.17 2 6 0 72 347.39 7 ↓

Analogs

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Popular Name: 1-(4-ethoxy-3-fluoro-phenyl)-3-(3-pyridylmethyl)urea 1-(4-ethoxy-3-fluoro-phenyl)-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) 2.13 4.36 -10.91 2 5 0 63 289.31 5 ↓
Lo Low (pH 4.5-6) 2.13 4.82 -44.39 3 5 1 64 290.318 5 ↓

Analogs

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Popular Name: 1-(3,5-difluoro-4-methoxy-phenyl)-3-[[6-(2,2,2-trifluoroethoxy)-3-pyridyl]methyl]urea 1-(3,5-difluoro-4-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) 3.17 3.48 -12.82 2 6 0 72 391.296 7 ↓

Analogs

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Popular Name: 1-(3,5-difluoro-4-methoxy-phenyl)-3-(3-pyridylmethyl)urea 1-(3,5-difluoro-4-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) 1.85 3.6 -11.66 2 5 0 63 293.273 4 ↓
Lo Low (pH 4.5-6) 1.85 4.07 -45.76 3 5 1 64 294.281 4 ↓

Analogs

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Popular Name: 1-[4-(dimethylamino)-3,5-difluoro-phenyl]-3-[(1S)-1-(3-pyridyl)ethyl]urea 1-[4-(dimethylamino)-3,5-difluor…

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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 6 -10.66 2 5 0 57 320.343 4 ↓
Lo Low (pH 4.5-6) 2.45 6.48 -44.3 3 5 1 59 321.351 4 ↓

Analogs

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Popular Name: 1-[4-(dimethylamino)-3,5-difluoro-phenyl]-3-[(1R)-1-(3-pyridyl)ethyl]urea 1-[4-(dimethylamino)-3,5-difluor…

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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 5.97 -10.71 2 5 0 57 320.343 4 ↓
Lo Low (pH 4.5-6) 2.45 6.45 -44.23 3 5 1 59 321.351 4 ↓

Analogs

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Popular Name: 1-(2-butoxyphenyl)-3-[(2-methoxy-3-pyridyl)methyl]urea 1-(2-butoxyphenyl)-3-[(2-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) 3.40 4.56 -10.4 2 6 0 72 329.4 8 ↓

Analogs

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Popular Name: 1-[3-chloro-2-(2-ethoxyethoxy)phenyl]-3-[(6-chloro-3-pyridyl)methyl]urea 1-[3-chloro-2-(2-ethoxyethoxy)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) 3.53 5.77 -10.81 2 6 0 72 384.263 8 ↓

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) 2.01 7.04 -41.96 3 7 1 85 365.36 6 ↓
Mid Mid (pH 6-8) 2.01 7.21 -12.22 2 7 0 84 364.352 6 ↓

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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) 3.77 10.76 -40.25 3 7 1 85 397.499 10 ↓
Mid Mid (pH 6-8) 3.77 10.39 -12.99 2 7 0 84 396.491 10 ↓

Analogs

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Popular Name: 1-[2-(ethoxymethyl)phenyl]-3-(3-pyridylmethyl)urea 1-[2-(ethoxymethyl)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) 1.89 5.11 -10.09 2 5 0 63 285.347 6 ↓
Lo Low (pH 4.5-6) 1.89 5.58 -43.03 3 5 1 64 286.355 6 ↓

Analogs

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Popular Name: 5-iodo-2-(3-pyridylmethylcarbamoylamino)benzoic 5-iodo-2-(3-pyridylmethylcarbamo…

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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 6.13 -44.17 2 6 -1 94 396.164 4 ↓
Lo Low (pH 4.5-6) 2.71 6.6 -58.9 3 6 0 95 397.172 4 ↓

Analogs

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Popular Name: 3-bromo-2-(3-pyridylmethylcarbamoylamino)benzoic 3-bromo-2-(3-pyridylmethylcarbam…

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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) 2.41 5.56 -47.54 2 6 -1 94 349.164 4 ↓
Lo Low (pH 4.5-6) 2.41 6.03 -59.63 3 6 0 95 350.172 4 ↓

Analogs

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Popular Name: 1-[4-(2-methylsulfanylethyl)phenyl]-3-(3-pyridylmethyl)urea 1-[4-(2-methylsulfanylethyl)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) 2.31 6.74 -10.4 2 4 0 54 301.415 6 ↓
Lo Low (pH 4.5-6) 2.31 7.21 -42.35 3 4 1 55 302.423 6 ↓

Analogs

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Popular Name: N-isopropyl-2-methyl-4-[(6-propoxy-3-pyridyl)methylcarbamoylamino]benzamide N-isopropyl-2-methyl-4-[(6-propo…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.13 4.92 -13.1 3 7 0 92 384.48 8 ↓

Analogs

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Popular Name: N-isopropyl-2-methyl-4-[(2-propoxy-3-pyridyl)methylcarbamoylamino]benzamide N-isopropyl-2-methyl-4-[(2-propo…

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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 4.99 -13.2 3 7 0 92 384.48 8 ↓

Analogs

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Popular Name: N-isopropyl-4-[[2-methoxyethyl(3-pyridylmethyl)carbamoyl]amino]-2-methyl-benzamide N-isopropyl-4-[[2-methoxyethyl(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) 2.08 7.24 -16.4 2 7 0 84 384.48 8 ↓
Lo Low (pH 4.5-6) 2.08 7.71 -45.21 3 7 1 85 385.488 8 ↓

Analogs

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Popular Name: 4-[(2-butoxy-3-pyridyl)methylcarbamoylamino]-N-isopropyl-2-methyl-benzamide 4-[(2-butoxy-3-pyridyl)methylcar…

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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) 3.63 5.77 -13.12 3 7 0 92 398.507 9 ↓

Analogs

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Popular Name: 4-[[6-(diethylamino)-3-pyridyl]methylcarbamoylamino]-N-isopropyl-2-methyl-benzamide 4-[[6-(diethylamino)-3-pyridyl]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) 3.05 8.56 -40.36 4 7 1 88 398.531 8 ↓
Mid Mid (pH 6-8) 3.05 8.19 -12.87 3 7 0 86 397.523 8 ↓

Analogs

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Popular Name: N-isopropyl-2-methyl-5-[(6-propoxy-3-pyridyl)methylcarbamoylamino]benzamide N-isopropyl-2-methyl-5-[(6-propo…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.13 4.93 -13.95 3 7 0 92 384.48 8 ↓

Analogs

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Popular Name: N-isopropyl-2-methyl-5-[(2-propoxy-3-pyridyl)methylcarbamoylamino]benzamide N-isopropyl-2-methyl-5-[(2-propo…

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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 4.99 -14.24 3 7 0 92 384.48 8 ↓

Analogs

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Popular Name: 5-[(2-butoxy-3-pyridyl)methylcarbamoylamino]-N-isopropyl-2-methyl-benzamide 5-[(2-butoxy-3-pyridyl)methylcar…

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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) 3.63 5.78 -14.14 3 7 0 92 398.507 9 ↓

Analogs

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Popular Name: 5-[(6-isopropoxy-3-pyridyl)methylcarbamoylamino]-N-isopropyl-2-methyl-benzamide 5-[(6-isopropoxy-3-pyridyl)methy…

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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) 2.99 5.07 -13.34 3 7 0 92 384.48 7 ↓

Analogs

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Popular Name: 5-[[6-(diethylamino)-3-pyridyl]methylcarbamoylamino]-N-isopropyl-2-methyl-benzamide 5-[[6-(diethylamino)-3-pyridyl]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) 3.05 8.56 -42.18 4 7 1 88 398.531 8 ↓
Mid Mid (pH 6-8) 3.05 8.19 -13.64 3 7 0 86 397.523 8 ↓

Analogs

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Popular Name: 3-fluoro-4-(3-pyridylmethylcarbamoylamino)benzoic 3-fluoro-4-(3-pyridylmethylcarba…

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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 4.76 -49.6 2 6 -1 94 288.258 4 ↓
Lo Low (pH 4.5-6) 1.61 5.23 -75.54 3 6 0 95 289.266 4 ↓

Analogs

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Popular Name: 1-(2-hydroxyethyl)-1-(3-pyridylmethyl)-3-[2-(trifluoromethyl)phenyl]urea 1-(2-hydroxyethyl)-1-(3-pyridylm…

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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) 2.07 5.49 -9.12 2 5 0 65 339.317 6 ↓
Lo Low (pH 4.5-6) 2.07 5.96 -36.94 3 5 1 67 340.325 6 ↓

Analogs

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Popular Name: 1-[(2-butoxy-3-pyridyl)methyl]-3-[3-(methoxymethyl)phenyl]urea 1-[(2-butoxy-3-pyridyl)methyl]-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) 3.32 4.89 -13.11 2 6 0 72 343.427 9 ↓

Analogs

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Popular Name: 1-[4-(dimethylamino)-3-methyl-phenyl]-3-[(2-propoxy-3-pyridyl)methyl]urea 1-[4-(dimethylamino)-3-methyl-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) 3.31 6.27 -10.58 2 6 0 66 342.443 7 ↓
Mid Mid (pH 6-8) 3.31 6.35 -39.46 3 6 1 68 343.451 7 ↓

Analogs

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Popular Name: N-ethyl-N-[[2-[(2-propoxy-3-pyridyl)methylcarbamoylamino]phenyl]methyl]acetamide N-ethyl-N-[[2-[(2-propoxy-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) 2.33 6.68 -16.01 2 7 0 84 384.48 9 ↓

Analogs

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Popular Name: N-[[2-[(2-butoxy-3-pyridyl)methylcarbamoylamino]phenyl]methyl]-N-ethyl-acetamide N-[[2-[(2-butoxy-3-pyridyl)methy…

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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) 2.88 7.98 -13.27 2 7 0 84 398.507 10 ↓

Analogs

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Popular Name: 3-[(2-propoxy-3-pyridyl)methylcarbamoylamino]-N-propyl-benzamide 3-[(2-propoxy-3-pyridyl)methylca…

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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) 2.88 4.22 -21.62 3 7 0 92 370.453 9 ↓

Analogs

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Popular Name: 1-[3-(difluoromethoxy)phenyl]-3-[(2-propoxy-3-pyridyl)methyl]urea 1-[3-(difluoromethoxy)phenyl]-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) 3.42 3.96 -14.28 2 6 0 72 351.353 8 ↓

Analogs

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

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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 5.11 -20.45 3 7 0 92 384.48 9 ↓

Analogs

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Popular Name: 2-methyl-N-[4-methyl-3-[(2-propoxy-3-pyridyl)methylcarbamoylamino]phenyl]propanamide 2-methyl-N-[4-methyl-3-[(2-propo…

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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) 3.51 5.58 -15.02 3 7 0 92 384.48 8 ↓

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