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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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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) 3.07 4.87 -16.5 2 6 0 71 359.348 6 ↓
Lo Low (pH 4.5-6) 3.07 7.31 -55.19 3 6 1 72 360.356 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) 3.07 4.87 -18 2 6 0 71 359.348 6 ↓
Lo Low (pH 4.5-6) 3.07 7.3 -56.15 3 6 1 72 360.356 6 ↓

Analogs

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Popular Name: 4-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]carbamoylamino]benzamide 4-[[(3R)-1-(2,2,2-trifluoroethyl…

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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) 1.34 0.12 -17.69 4 6 0 87 330.31 5 ↓
Lo Low (pH 4.5-6) 1.34 2.55 -58.36 5 6 1 89 331.318 5 ↓

Analogs

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Popular Name: 4-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]carbamoylamino]benzamide 4-[[(3S)-1-(2,2,2-trifluoroethyl…

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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) 1.34 0.12 -19 4 6 0 87 330.31 5 ↓
Lo Low (pH 4.5-6) 1.34 2.55 -59.13 5 6 1 89 331.318 5 ↓

Analogs

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Popular Name: 2-[4-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]carbamoylamino]phenyl]acetamide 2-[4-[[(3R)-1-(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) 1.43 0.78 -16.92 4 6 0 87 344.337 6 ↓
Lo Low (pH 4.5-6) 1.43 3.21 -55.02 5 6 1 89 345.345 6 ↓

Analogs

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Popular Name: 2-[4-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]carbamoylamino]phenyl]acetamide 2-[4-[[(3S)-1-(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) 1.43 0.78 -17.39 4 6 0 87 344.337 6 ↓
Lo Low (pH 4.5-6) 1.43 3.21 -55.3 5 6 1 89 345.345 6 ↓

Analogs

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Popular Name: N,N-dimethyl-3-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]carbamoylamino]benzamide N,N-dimethyl-3-[[(3R)-1-(2,2,2-t…

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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 3.15 -20.75 2 6 0 65 358.364 5 ↓
Lo Low (pH 4.5-6) 1.46 5.55 -57.76 3 6 1 66 359.372 5 ↓

Analogs

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Popular Name: N,N-dimethyl-3-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]carbamoylamino]benzamide N,N-dimethyl-3-[[(3S)-1-(2,2,2-t…

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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 3.14 -21.06 2 6 0 65 358.364 5 ↓
Lo Low (pH 4.5-6) 1.46 5.55 -57.98 3 6 1 66 359.372 5 ↓

Analogs

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Popular Name: 1-[4-(dimethylsulfamoyl)phenyl]-3-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea 1-[4-(dimethylsulfamoyl)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) 1.83 1.3 -15.75 2 7 0 82 394.419 6 ↓
Lo Low (pH 4.5-6) 1.83 3.72 -57.17 3 7 1 83 395.427 6 ↓

Analogs

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Popular Name: 1-[4-(dimethylsulfamoyl)phenyl]-3-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea 1-[4-(dimethylsulfamoyl)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) 1.83 1.29 -16.39 2 7 0 82 394.419 6 ↓
Lo Low (pH 4.5-6) 1.83 3.72 -57.67 3 7 1 83 395.427 6 ↓

Analogs

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Popular Name: 1-(3-cyanophenyl)-3-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea 1-(3-cyanophenyl)-3-[(3R)-1-(2,2…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.25 3.69 -14.64 2 5 0 68 312.295 4 ↓
Lo Low (pH 4.5-6) 2.25 6.13 -54.45 3 5 1 69 313.303 4 ↓

Analogs

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Popular Name: 1-(3-cyanophenyl)-3-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea 1-(3-cyanophenyl)-3-[(3S)-1-(2,2…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.25 3.69 -15.42 2 5 0 68 312.295 4 ↓
Lo Low (pH 4.5-6) 2.25 6.12 -55.02 3 5 1 69 313.303 4 ↓

Analogs

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Popular Name: 1-(4-methoxyphenyl)-3-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea 1-(4-methoxyphenyl)-3-[(3R)-1-(2…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.58 2.59 -10.92 2 5 0 54 317.311 5 ↓
Lo Low (pH 4.5-6) 2.58 5.02 -50.7 3 5 1 55 318.319 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-methoxyphenyl)-3-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea 1-(4-methoxyphenyl)-3-[(3S)-1-(2…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.58 2.59 -11.68 2 5 0 54 317.311 5 ↓
Lo Low (pH 4.5-6) 2.58 5.02 -51.23 3 5 1 55 318.319 5 ↓

Analogs

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Popular Name: 1-(3-methoxyphenyl)-3-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea 1-(3-methoxyphenyl)-3-[(3R)-1-(2…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.55 2.6 -10.45 2 5 0 54 317.311 5 ↓
Lo Low (pH 4.5-6) 2.55 5.03 -49.77 3 5 1 55 318.319 5 ↓

Analogs

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Popular Name: 1-(3-methoxyphenyl)-3-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea 1-(3-methoxyphenyl)-3-[(3S)-1-(2…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.55 2.6 -11.22 2 5 0 54 317.311 5 ↓
Lo Low (pH 4.5-6) 2.55 5.03 -50.39 3 5 1 55 318.319 5 ↓

Analogs

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Popular Name: 1-(3-nitrophenyl)-3-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea 1-(3-nitrophenyl)-3-[(3R)-1-(2,2…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.46 4.01 -11.08 2 7 0 90 332.282 5 ↓
Lo Low (pH 4.5-6) 2.46 6.44 -53.44 3 7 1 91 333.29 5 ↓

Analogs

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Popular Name: 1-(3-nitrophenyl)-3-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea 1-(3-nitrophenyl)-3-[(3S)-1-(2,2…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.46 4 -12.05 2 7 0 90 332.282 5 ↓
Lo Low (pH 4.5-6) 2.46 6.44 -54.18 3 7 1 91 333.29 5 ↓

Analogs

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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) 3.07 4.88 -12.33 2 6 0 71 359.348 7 ↓
Lo Low (pH 4.5-6) 3.07 7.31 -53.95 3 6 1 72 360.356 7 ↓

Analogs

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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) 3.07 4.88 -13.25 2 6 0 71 359.348 7 ↓
Lo Low (pH 4.5-6) 3.07 7.31 -54.61 3 6 1 72 360.356 7 ↓

Analogs

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Popular Name: 1-(4-cyanophenyl)-3-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea 1-(4-cyanophenyl)-3-[(3R)-1-(2,2…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.27 3.7 -12.5 2 5 0 68 312.295 4 ↓
Lo Low (pH 4.5-6) 2.27 6.13 -54.24 3 5 1 69 313.303 4 ↓

Analogs

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Popular Name: 1-(4-cyanophenyl)-3-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea 1-(4-cyanophenyl)-3-[(3S)-1-(2,2…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.27 3.69 -13.41 2 5 0 68 312.295 4 ↓
Lo Low (pH 4.5-6) 2.27 6.12 -54.94 3 5 1 69 313.303 4 ↓

Analogs

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Popular Name: 1-(3-chlorophenyl)-3-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea 1-(3-chlorophenyl)-3-[(3R)-1-(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) 3.17 3.82 -8.84 2 4 0 44 321.73 4 ↓
Lo Low (pH 4.5-6) 3.17 6.25 -49.1 3 4 1 46 322.738 4 ↓

Analogs

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Popular Name: 1-(3-chlorophenyl)-3-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea 1-(3-chlorophenyl)-3-[(3S)-1-(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) 3.17 3.82 -9.64 2 4 0 44 321.73 4 ↓
Lo Low (pH 4.5-6) 3.17 6.25 -49.67 3 4 1 46 322.738 4 ↓

Analogs

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Popular Name: 1-(3,4-dichlorophenyl)-3-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea 1-(3,4-dichlorophenyl)-3-[(3R)-1…

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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) 3.80 4.28 -8.97 2 4 0 44 356.175 4 ↓
Lo Low (pH 4.5-6) 3.80 6.71 -50.57 3 4 1 46 357.183 4 ↓

Analogs

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Popular Name: 1-(3,4-dichlorophenyl)-3-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea 1-(3,4-dichlorophenyl)-3-[(3S)-1…

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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) 3.80 4.28 -9.87 2 4 0 44 356.175 4 ↓
Lo Low (pH 4.5-6) 3.80 6.71 -51.26 3 4 1 46 357.183 4 ↓

Analogs

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Popular Name: 1-(4-fluorophenyl)-3-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea 1-(4-fluorophenyl)-3-[(3R)-1-(2,…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.68 3.37 -10.34 2 4 0 44 305.275 4 ↓
Lo Low (pH 4.5-6) 2.68 5.8 -50.99 3 4 1 46 306.283 4 ↓

Analogs

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Popular Name: 1-(4-fluorophenyl)-3-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea 1-(4-fluorophenyl)-3-[(3S)-1-(2,…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.68 3.37 -11.15 2 4 0 44 305.275 4 ↓
Lo Low (pH 4.5-6) 2.68 5.8 -51.65 3 4 1 46 306.283 4 ↓

Analogs

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Popular Name: 1-(2-methoxyphenyl)-3-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea 1-(2-methoxyphenyl)-3-[(3R)-1-(2…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.53 2.75 -9.76 2 5 0 54 317.311 5 ↓
Lo Low (pH 4.5-6) 2.53 5.18 -47.83 3 5 1 55 318.319 5 ↓

Analogs

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Popular Name: 1-(2-methoxyphenyl)-3-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea 1-(2-methoxyphenyl)-3-[(3S)-1-(2…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.53 2.75 -10.4 2 5 0 54 317.311 5 ↓
Lo Low (pH 4.5-6) 2.53 5.18 -48.39 3 5 1 55 318.319 5 ↓

Analogs

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Popular Name: 1-(2,4-difluorophenyl)-3-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea 1-(2,4-difluorophenyl)-3-[(3R)-1…

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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) 2.77 3.49 -7.54 2 4 0 44 323.265 4 ↓
Lo Low (pH 4.5-6) 2.77 5.92 -48.3 3 4 1 46 324.273 4 ↓

Analogs

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Popular Name: 1-(2,4-difluorophenyl)-3-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea 1-(2,4-difluorophenyl)-3-[(3S)-1…

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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) 2.77 3.49 -8.28 2 4 0 44 323.265 4 ↓
Lo Low (pH 4.5-6) 2.77 5.92 -48.97 3 4 1 46 324.273 4 ↓

Analogs

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Popular Name: 1-(3-chloro-4-methyl-phenyl)-3-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-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) 3.58 4.41 -8.91 2 4 0 44 335.757 4 ↓
Lo Low (pH 4.5-6) 3.58 6.84 -49.05 3 4 1 46 336.765 4 ↓

Analogs

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Popular Name: 1-(3-chloro-4-methyl-phenyl)-3-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-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) 3.58 4.4 -9.73 2 4 0 44 335.757 4 ↓
Lo Low (pH 4.5-6) 3.58 6.84 -49.73 3 4 1 46 336.765 4 ↓

Analogs

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Popular Name: 1-(m-tolyl)-3-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea 1-(m-tolyl)-3-[(3R)-1-(2,2,2-tri…

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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 3.98 -10.29 2 4 0 44 301.312 4 ↓
Lo Low (pH 4.5-6) 2.94 6.41 -49.11 3 4 1 46 302.32 4 ↓

Analogs

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Popular Name: 1-(m-tolyl)-3-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea 1-(m-tolyl)-3-[(3S)-1-(2,2,2-tri…

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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 3.97 -11 2 4 0 44 301.312 4 ↓
Lo Low (pH 4.5-6) 2.94 6.41 -49.72 3 4 1 46 302.32 4 ↓

Analogs

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Popular Name: 5-iodo-2-[[(3S)-1-methylpyrrolidin-3-yl]carbamoylamino]benzoic 5-iodo-2-[[(3S)-1-methylpyrrolid…

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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 6.75 -61.58 3 6 0 86 389.193 3 ↓

Analogs

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Popular Name: 5-iodo-2-[[(3R)-1-methylpyrrolidin-3-yl]carbamoylamino]benzoic 5-iodo-2-[[(3R)-1-methylpyrrolid…

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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 6.7 -62.06 3 6 0 86 389.193 3 ↓

Analogs

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Popular Name: 3,5-dibromo-2-[[(3S)-1-methylpyrrolidin-3-yl]carbamoylamino]benzoic 3,5-dibromo-2-[[(3S)-1-methylpyr…

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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 6.8 -59.45 3 6 0 86 421.089 3 ↓

Analogs

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Popular Name: 3,5-dibromo-2-[[(3R)-1-methylpyrrolidin-3-yl]carbamoylamino]benzoic 3,5-dibromo-2-[[(3R)-1-methylpyr…

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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 6.76 -59.72 3 6 0 86 421.089 3 ↓

Analogs

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Popular Name: 3,5-dimethyl-2-[[(3R)-1-methylpyrrolidin-3-yl]carbamoylamino]benzoic 3,5-dimethyl-2-[[(3R)-1-methylpy…

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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) 1.50 6.91 -66.52 3 6 0 86 291.351 3 ↓

Analogs

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Popular Name: 3,5-dimethyl-2-[[(3S)-1-methylpyrrolidin-3-yl]carbamoylamino]benzoic 3,5-dimethyl-2-[[(3S)-1-methylpy…

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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) 1.50 6.99 -66.72 3 6 0 86 291.351 3 ↓

Analogs

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Popular Name: 3-bromo-2-[[(3S)-1-methylpyrrolidin-3-yl]carbamoylamino]benzoic 3-bromo-2-[[(3S)-1-methylpyrroli…

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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) 2.40 6.18 -64.36 3 6 0 86 342.193 3 ↓

Analogs

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Popular Name: 3-bromo-2-[[(3R)-1-methylpyrrolidin-3-yl]carbamoylamino]benzoic 3-bromo-2-[[(3R)-1-methylpyrroli…

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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) 2.40 6.14 -65.21 3 6 0 86 342.193 3 ↓

Analogs

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Popular Name: 3-fluoro-4-[[(3S)-1-methylpyrrolidin-3-yl]carbamoylamino]benzoic 3-fluoro-4-[[(3S)-1-methylpyrrol…

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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) 1.60 5.38 -77.81 3 6 0 86 281.287 3 ↓

Analogs

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Popular Name: 3-fluoro-4-[[(3R)-1-methylpyrrolidin-3-yl]carbamoylamino]benzoic 3-fluoro-4-[[(3R)-1-methylpyrrol…

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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) 1.60 5.33 -77.65 3 6 0 86 281.287 3 ↓

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Popular Name: 1-(4-fluorophenyl)-3-[(3S)-1-[(2E,4E)-hexa-2,4-dienoyl]pyrrolidin-3-yl]urea 1-(4-fluorophenyl)-3-[(3S)-1-[(2…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.49 6.53 -18.45 2 5 0 61 317.364 4 ↓

Analogs

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Popular Name: 1-(4-fluorophenyl)-3-[(3R)-1-[(2E,4E)-hexa-2,4-dienoyl]pyrrolidin-3-yl]urea 1-(4-fluorophenyl)-3-[(3R)-1-[(2…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.49 6.54 -17.41 2 5 0 61 317.364 4 ↓

Analogs

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Popular Name: 1-[(3S)-1-(2-allylsulfanylacetyl)pyrrolidin-3-yl]-3-(4-fluorophenyl)urea 1-[(3S)-1-(2-allylsulfanylacetyl…

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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 6.43 -20.77 2 5 0 61 337.42 6 ↓

Analogs

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Popular Name: 1-[(3R)-1-(2-allylsulfanylacetyl)pyrrolidin-3-yl]-3-(4-fluorophenyl)urea 1-[(3R)-1-(2-allylsulfanylacetyl…

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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 6.43 -19.76 2 5 0 61 337.42 6 ↓

Parameters Provided:

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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 = 101093 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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