UCSF
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Analogs

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Popular Name: 1-[1-(2-diethylaminoethyl)pyrazol-4-yl]-3-(3-fluoro-4-methoxy-phenyl)urea 1-[1-(2-diethylaminoethyl)pyrazo…

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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 6.37 -51.25 3 7 1 73 350.418 8 ↓
Hi High (pH 8-9.5) 2.45 4.27 -18.23 2 7 0 71 349.41 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) 1.40 2.72 -20.36 3 8 0 99 289.295 4 ↓

Analogs

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Popular Name: 4-[[1-(2-dimethylaminoethyl)pyrazol-4-yl]carbamoylamino]benzamide 4-[[1-(2-dimethylaminoethyl)pyra…

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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) 0.37 2.46 -56.29 5 8 1 106 317.373 6 ↓
Hi High (pH 8-9.5) 0.37 -0.01 -21.15 4 8 0 105 316.365 6 ↓

Analogs

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Popular Name: 2-[4-[[1-(2-dimethylaminoethyl)pyrazol-4-yl]carbamoylamino]phenyl]acetamide 2-[4-[[1-(2-dimethylaminoethyl)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) 0.46 3.15 -54.07 5 8 1 106 331.4 7 ↓
Hi High (pH 8-9.5) 0.46 0.68 -19.98 4 8 0 105 330.392 7 ↓

Analogs

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Popular Name: 1-[1-(2-dimethylaminoethyl)pyrazol-4-yl]-3-[4-(dimethylsulfamoyl)phenyl]urea 1-[1-(2-dimethylaminoethyl)pyraz…

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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 3.66 -55.21 3 9 1 101 381.482 7 ↓
Hi High (pH 8-9.5) 0.86 1.19 -19.54 2 9 0 100 380.474 7 ↓

Analogs

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Popular Name: 1-(3-cyanophenyl)-3-[1-(2-dimethylaminoethyl)pyrazol-4-yl]urea 1-(3-cyanophenyl)-3-[1-(2-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) 1.28 6.06 -52.69 3 7 1 87 299.358 5 ↓
Hi High (pH 8-9.5) 1.28 3.59 -18.42 2 7 0 86 298.35 5 ↓

Analogs

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Popular Name: 1-(2-chlorophenyl)-3-[1-(2-dimethylaminoethyl)pyrazol-4-yl]urea 1-(2-chlorophenyl)-3-[1-(2-dimet…

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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) 2.18 6.3 -45.98 3 6 1 63 308.793 5 ↓
Hi High (pH 8-9.5) 2.18 3.83 -10.8 2 6 0 62 307.785 5 ↓

Analogs

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Popular Name: 1-[1-(2-dimethylaminoethyl)pyrazol-4-yl]-3-(4-methoxyphenyl)urea 1-[1-(2-dimethylaminoethyl)pyraz…

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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 4.96 -49.04 3 7 1 73 304.374 6 ↓
Hi High (pH 8-9.5) 1.61 2.48 -13.75 2 7 0 71 303.366 6 ↓

Analogs

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Popular Name: 1-[1-(2-dimethylaminoethyl)pyrazol-4-yl]-3-(2-fluorophenyl)urea 1-[1-(2-dimethylaminoethyl)pyraz…

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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) 1.67 5.78 -46.39 3 6 1 63 292.338 5 ↓
Hi High (pH 8-9.5) 1.67 3.3 -11.71 2 6 0 62 291.33 5 ↓

Analogs

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Popular Name: 1-[1-(2-dimethylaminoethyl)pyrazol-4-yl]-3-(3-methoxyphenyl)urea 1-[1-(2-dimethylaminoethyl)pyraz…

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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) 1.58 4.97 -50.8 3 7 1 73 304.374 6 ↓
Hi High (pH 8-9.5) 1.58 2.5 -16.7 2 7 0 71 303.366 6 ↓

Analogs

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Popular Name: 1-(4-cyanophenyl)-3-[1-(2-dimethylaminoethyl)pyrazol-4-yl]urea 1-(4-cyanophenyl)-3-[1-(2-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) 1.30 6.07 -51.5 3 7 1 87 299.358 5 ↓
Hi High (pH 8-9.5) 1.30 3.59 -15.34 2 7 0 86 298.35 5 ↓

Analogs

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Popular Name: 1-(4-chlorophenyl)-3-[1-(2-dimethylaminoethyl)pyrazol-4-yl]urea 1-(4-chlorophenyl)-3-[1-(2-dimet…

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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) 2.23 6.2 -48.31 3 6 1 63 308.793 5 ↓
Hi High (pH 8-9.5) 2.23 3.72 -12.65 2 6 0 62 307.785 5 ↓

Analogs

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Popular Name: 1-(3-chlorophenyl)-3-[1-(2-dimethylaminoethyl)pyrazol-4-yl]urea 1-(3-chlorophenyl)-3-[1-(2-dimet…

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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) 2.20 6.19 -49.31 3 6 1 63 308.793 5 ↓
Hi High (pH 8-9.5) 2.20 3.72 -14.45 2 6 0 62 307.785 5 ↓

Analogs

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Popular Name: 1-(3,4-dichlorophenyl)-3-[1-(2-dimethylaminoethyl)pyrazol-4-yl]urea 1-(3,4-dichlorophenyl)-3-[1-(2-d…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.83 6.65 -50.05 3 6 1 63 343.238 5 ↓
Hi High (pH 8-9.5) 2.83 4.18 -15.01 2 6 0 62 342.23 5 ↓

Analogs

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Popular Name: 1-[1-(2-dimethylaminoethyl)pyrazol-4-yl]-3-(4-fluorophenyl)urea 1-[1-(2-dimethylaminoethyl)pyraz…

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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) 1.71 5.74 -48.93 3 6 1 63 292.338 5 ↓
Hi High (pH 8-9.5) 1.71 3.26 -13.18 2 6 0 62 291.33 5 ↓

Analogs

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Popular Name: 1-[1-(2-dimethylaminoethyl)pyrazol-4-yl]-3-(p-tolyl)urea 1-[1-(2-dimethylaminoethyl)pyraz…

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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) 2.00 6.31 -48.05 3 6 1 63 288.375 5 ↓
Hi High (pH 8-9.5) 2.00 3.83 -13.46 2 6 0 62 287.367 5 ↓

Analogs

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Popular Name: 1-[1-(2-dimethylaminoethyl)pyrazol-4-yl]-3-(2-methoxyphenyl)urea 1-[1-(2-dimethylaminoethyl)pyraz…

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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 5.08 -47.27 3 7 1 73 304.374 6 ↓
Hi High (pH 8-9.5) 1.56 2.6 -12.93 2 7 0 71 303.366 6 ↓

Analogs

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Popular Name: 1-(2,4-difluorophenyl)-3-[1-(2-dimethylaminoethyl)pyrazol-4-yl]urea 1-(2,4-difluorophenyl)-3-[1-(2-d…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.80 5.84 -46.2 3 6 1 63 310.328 5 ↓
Hi High (pH 8-9.5) 1.80 3.37 -10.25 2 6 0 62 309.32 5 ↓

Analogs

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Popular Name: 1-(3-chloro-4-methyl-phenyl)-3-[1-(2-dimethylaminoethyl)pyrazol-4-yl]urea 1-(3-chloro-4-methyl-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) 2.60 6.73 -47.29 3 6 1 63 322.82 5 ↓
Hi High (pH 8-9.5) 2.60 4.26 -12.07 2 6 0 62 321.812 5 ↓

Analogs

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Popular Name: 1-[1-(2-dimethylaminoethyl)pyrazol-4-yl]-3-(m-tolyl)urea 1-[1-(2-dimethylaminoethyl)pyraz…

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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) 1.97 6.3 -48.01 3 6 1 63 288.375 5 ↓
Hi High (pH 8-9.5) 1.97 3.83 -13.33 2 6 0 62 287.367 5 ↓

Analogs

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Popular Name: 1-[1-(2-dimethylaminoethyl)pyrazol-4-yl]-3-phenyl-urea 1-[1-(2-dimethylaminoethyl)pyraz…

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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 5.67 -47.89 3 6 1 63 274.348 5 ↓
Hi High (pH 8-9.5) 1.55 3.2 -13.4 2 6 0 62 273.34 5 ↓

Analogs

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Popular Name: 1-(3-fluorophenyl)-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea 1-(3-fluorophenyl)-3-[1-(2-hydro…

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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) 1.03 1.04 -12.9 3 6 0 79 264.26 4 ↓

Analogs

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Popular Name: 5-iodo-2-[(1-methylpyrazol-4-yl)carbamoylamino]benzoic 5-iodo-2-[(1-methylpyrazol-4-yl)…

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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) 2.62 5.56 -46.09 2 7 -1 99 385.141 3 ↓

Analogs

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Popular Name: 5-iodo-2-(1H-pyrazol-4-ylcarbamoylamino)benzoic 5-iodo-2-(1H-pyrazol-4-ylcarbamo…

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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 4.17 -44.68 3 7 -1 110 371.114 3 ↓

Analogs

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Popular Name: 2-[(1-ethylpyrazol-4-yl)carbamoylamino]-5-iodo-benzoic 2-[(1-ethylpyrazol-4-yl)carbamoy…

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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) 3.00 6.42 -45.95 2 7 -1 99 399.168 4 ↓

Analogs

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Popular Name: 2-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoylamino]-5-iodo-benzoic 2-[(3,5-dimethyl-1H-pyrazol-4-yl…

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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) 3.00 5.26 -46.11 3 7 -1 110 399.168 3 ↓

Analogs

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Popular Name: 3,5-dibromo-2-[(1-methylpyrazol-4-yl)carbamoylamino]benzoic 3,5-dibromo-2-[(1-methylpyrazol-…

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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) 3.09 5.62 -45.41 2 7 -1 99 417.037 3 ↓

Analogs

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Popular Name: 3,5-dibromo-2-(1H-pyrazol-4-ylcarbamoylamino)benzoic 3,5-dibromo-2-(1H-pyrazol-4-ylca…

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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 4.12 -43.93 3 7 -1 110 403.01 3 ↓

Analogs

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Popular Name: 3,5-dimethyl-2-[(1-methylpyrazol-4-yl)carbamoylamino]benzoic 3,5-dimethyl-2-[(1-methylpyrazol…

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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 5.76 -53.8 2 7 -1 99 287.299 3 ↓

Analogs

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Popular Name: 3,5-dimethyl-2-(1H-pyrazol-4-ylcarbamoylamino)benzoic 3,5-dimethyl-2-(1H-pyrazol-4-ylc…

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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 4.45 -52.44 3 7 -1 110 273.272 3 ↓

Analogs

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Popular Name: 3-bromo-2-[(1-methylpyrazol-4-yl)carbamoylamino]benzoic 3-bromo-2-[(1-methylpyrazol-4-yl…

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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) 2.32 5.02 -49.77 2 7 -1 99 338.141 3 ↓

Analogs

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Popular Name: 3-bromo-2-(1H-pyrazol-4-ylcarbamoylamino)benzoic 3-bromo-2-(1H-pyrazol-4-ylcarbam…

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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) 2.26 3.67 -48.09 3 7 -1 110 324.114 3 ↓

Analogs

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Popular Name: 3-bromo-2-[(1-ethylpyrazol-4-yl)carbamoylamino]benzoic 3-bromo-2-[(1-ethylpyrazol-4-yl)…

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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 5.88 -49.68 2 7 -1 99 352.168 4 ↓

Analogs

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Popular Name: 3-bromo-2-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoylamino]benzoic 3-bromo-2-[(3,5-dimethyl-1H-pyra…

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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 4.64 -47.67 3 7 -1 110 352.168 3 ↓

Analogs

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Popular Name: 1-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]-3-(1H-pyrazol-4-yl)urea 1-[2-methyl-3-(2,2,2-trifluoroet…

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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) 2.79 3.82 -14.2 3 6 0 79 314.267 5 ↓

Analogs

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Popular Name: 4-[(1-tert-butylpyrazol-4-yl)carbamoylamino]-N-isopropyl-2-methyl-benzamide 4-[(1-tert-butylpyrazol-4-yl)car…

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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 6.12 -19.47 3 7 0 88 357.458 5 ↓

Analogs

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Popular Name: 3-fluoro-4-[(1-methylpyrazol-4-yl)carbamoylamino]benzoic 3-fluoro-4-[(1-methylpyrazol-4-y…

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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 4.18 -54.44 2 7 -1 99 277.235 3 ↓

Analogs

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Popular Name: 3-fluoro-4-(1H-pyrazol-4-ylcarbamoylamino)benzoic 3-fluoro-4-(1H-pyrazol-4-ylcarba…

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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) 1.46 2.86 -53.57 3 7 -1 110 263.208 3 ↓

Analogs

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Popular Name: 4-[(1-ethylpyrazol-4-yl)carbamoylamino]-3-fluoro-benzoic 4-[(1-ethylpyrazol-4-yl)carbamoy…

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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 5.04 -54.4 2 7 -1 99 291.262 4 ↓

Analogs

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Popular Name: 4-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoylamino]-3-fluoro-benzoic 4-[(3,5-dimethyl-1H-pyrazol-4-yl…

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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 3.87 -52.31 3 7 -1 110 291.262 3 ↓

Analogs

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Popular Name: 1-(2-bromo-5-methoxy-phenyl)-3-(1H-pyrazol-4-yl)urea 1-(2-bromo-5-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) 2.25 2.24 -13.33 3 6 0 79 311.139 3 ↓

Analogs

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Popular Name: 1-(2-chloro-4-methyl-phenyl)-3-(1H-pyrazol-4-yl)urea 1-(2-chloro-4-methyl-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) 2.51 3.48 -10.77 3 5 0 70 250.689 2 ↓

Analogs

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Popular Name: 1-[2-[(1S)-2-cyano-1-methyl-ethyl]sulfanylphenyl]-3-(1H-pyrazol-4-yl)urea 1-[2-[(1S)-2-cyano-1-methyl-ethy…

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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) 1.66 5.16 -19.17 3 6 0 94 301.375 5 ↓

Analogs

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Popular Name: 1-[2-[(1R)-2-cyano-1-methyl-ethyl]sulfanylphenyl]-3-(1H-pyrazol-4-yl)urea 1-[2-[(1R)-2-cyano-1-methyl-ethy…

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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) 1.66 5.17 -18.12 3 6 0 94 301.375 5 ↓

Analogs

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Popular Name: 1-(2-chloro-4-methyl-phenyl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea 1-(2-chloro-4-methyl-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) 2.56 4.7 -10.94 2 6 0 68 308.769 5 ↓

Analogs

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Popular Name: 1-[1-[(2S)-3-(dimethylamino)-2-hydroxy-propyl]pyrazol-4-yl]-3-(3-methoxyphenyl)urea 1-[1-[(2S)-3-(dimethylamino)-2-h…

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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) 0.94 2.75 -52.82 4 8 1 93 334.4 7 ↓
Hi High (pH 8-9.5) 0.94 0.19 -20.36 3 8 0 92 333.392 7 ↓

Analogs

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Popular Name: 1-[1-[(2R)-3-(dimethylamino)-2-hydroxy-propyl]pyrazol-4-yl]-3-(3-methoxyphenyl)urea 1-[1-[(2R)-3-(dimethylamino)-2-h…

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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) 0.94 2.52 -52.65 4 8 1 93 334.4 7 ↓
Hi High (pH 8-9.5) 0.94 -0.02 -21.17 3 8 0 92 333.392 7 ↓

Analogs

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Popular Name: 1-(3-chlorophenyl)-3-[1-[(2S)-3-(dimethylamino)-2-hydroxy-propyl]pyrazol-4-yl]urea 1-(3-chlorophenyl)-3-[1-[(2S)-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) 1.56 3.97 -51.24 4 7 1 84 338.819 6 ↓
Hi High (pH 8-9.5) 1.56 1.44 -18.44 3 7 0 82 337.811 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-chlorophenyl)-3-[1-[(2R)-3-(dimethylamino)-2-hydroxy-propyl]pyrazol-4-yl]urea 1-(3-chlorophenyl)-3-[1-[(2R)-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) 1.56 3.74 -51.03 4 7 1 84 338.819 6 ↓
Hi High (pH 8-9.5) 1.56 1.26 -19.42 3 7 0 82 337.811 6 ↓

Analogs

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Popular Name: 1-(4-chloro-2-methyl-phenyl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea 1-(4-chloro-2-methyl-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) 2.56 4.83 -12.92 2 6 0 68 308.769 5 ↓

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