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Analogs

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Popular Name: 1-(4-chloro-2-fluoro-phenyl)-3-[[(3R)-1-isopropylpyrrolidin-3-yl]methyl]urea 1-(4-chloro-2-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) 3.42 7.12 -38.57 3 4 1 46 314.812 4 ↓

Analogs

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Popular Name: 1-(4-chloro-2-fluoro-phenyl)-3-[[(3S)-1-isopropylpyrrolidin-3-yl]methyl]urea 1-(4-chloro-2-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) 3.42 7.07 -38.64 3 4 1 46 314.812 4 ↓

Analogs

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Popular Name: 1-(3-chloro-2-methyl-phenyl)-3-[[(3S)-1-isopropylpyrrolidin-3-yl]methyl]urea 1-(3-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) 3.68 7.76 -40.13 3 4 1 46 310.849 4 ↓

Analogs

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Popular Name: 1-(3-chloro-2-methyl-phenyl)-3-[[(3R)-1-isopropylpyrrolidin-3-yl]methyl]urea 1-(3-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) 3.68 7.76 -40.6 3 4 1 46 310.849 4 ↓

Analogs

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Popular Name: 1-[[(3R)-1-isopropylpyrrolidin-3-yl]methyl]-3-(3-methoxyphenyl)urea 1-[[(3R)-1-isopropylpyrrolidin-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) 2.68 5.83 -43.04 3 5 1 55 292.403 5 ↓

Analogs

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Popular Name: 1-[[(3S)-1-isopropylpyrrolidin-3-yl]methyl]-3-(3-methoxyphenyl)urea 1-[[(3S)-1-isopropylpyrrolidin-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) 2.68 5.76 -43.29 3 5 1 55 292.403 5 ↓

Analogs

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Popular Name: 5-iodo-2-[[(3R)-1-methylpyrrolidin-3-yl]methylcarbamoylamino]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) 3.08 7.32 -63.15 3 6 0 86 403.22 4 ↓

Analogs

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Popular Name: 5-iodo-2-[[(3S)-1-methylpyrrolidin-3-yl]methylcarbamoylamino]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) 3.08 7.3 -62.55 3 6 0 86 403.22 4 ↓

Analogs

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Popular Name: 3-bromo-2-[[(3R)-1-methylpyrrolidin-3-yl]methylcarbamoylamino]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) 2.78 6.77 -64.43 3 6 0 86 356.22 4 ↓

Analogs

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Popular Name: 3-bromo-2-[[(3S)-1-methylpyrrolidin-3-yl]methylcarbamoylamino]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) 2.78 6.78 -64.25 3 6 0 86 356.22 4 ↓

Analogs

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Popular Name: N-isopropyl-2-methyl-4-[[(3R)-1-propylpyrrolidin-3-yl]methylcarbamoylamino]benzamide N-isopropyl-2-methyl-4-[[(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) 3.10 7.35 -46.5 4 6 1 75 361.51 7 ↓

Analogs

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Popular Name: N-isopropyl-2-methyl-4-[[(3S)-1-propylpyrrolidin-3-yl]methylcarbamoylamino]benzamide N-isopropyl-2-methyl-4-[[(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) 3.10 7.32 -46.74 4 6 1 75 361.51 7 ↓

Analogs

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Popular Name: 3-fluoro-4-[[(3R)-1-methylpyrrolidin-3-yl]methylcarbamoylamino]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) 1.98 5.95 -76.19 3 6 0 86 295.314 4 ↓

Analogs

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Popular Name: 3-fluoro-4-[[(3S)-1-methylpyrrolidin-3-yl]methylcarbamoylamino]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) 1.98 5.93 -76.24 3 6 0 86 295.314 4 ↓

Analogs

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Popular Name: 1-(2-fluorophenyl)-3-[[(3R)-1-methylpyrrolidin-3-yl]methyl]urea 1-(2-fluorophenyl)-3-[[(3R)-1-me…

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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) 2.09 5.41 -41 3 4 1 46 252.313 3 ↓

Analogs

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Popular Name: 1-(2-fluorophenyl)-3-[[(3S)-1-methylpyrrolidin-3-yl]methyl]urea 1-(2-fluorophenyl)-3-[[(3S)-1-me…

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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) 2.09 5.38 -40.96 3 4 1 46 252.313 3 ↓

Analogs

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Popular Name: 1-(3-methoxyphenyl)-3-[[(3R)-1-methylpyrrolidin-3-yl]methyl]urea 1-(3-methoxyphenyl)-3-[[(3R)-1-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) 2.01 4.59 -44.42 3 5 1 55 264.349 4 ↓

Analogs

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Popular Name: 1-(3-methoxyphenyl)-3-[[(3S)-1-methylpyrrolidin-3-yl]methyl]urea 1-(3-methoxyphenyl)-3-[[(3S)-1-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) 2.01 4.6 -45.59 3 5 1 55 264.349 4 ↓

Analogs

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Popular Name: 1-methyl-1-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-3-[2-(trifluoromethyl)phenyl]urea 1-methyl-1-[[(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) 3.07 8.68 -35.98 2 4 1 37 316.347 4 ↓

Analogs

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Popular Name: 1-methyl-1-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-3-[2-(trifluoromethyl)phenyl]urea 1-methyl-1-[[(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) 3.07 8.73 -38.49 2 4 1 37 316.347 4 ↓

Analogs

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Popular Name: 1-[[(3R)-1-ethylpyrrolidin-3-yl]methyl]-3-(4-methoxy-2-methyl-phenyl)urea 1-[[(3R)-1-ethylpyrrolidin-3-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) 2.79 6.13 -42.81 3 5 1 55 292.403 5 ↓

Analogs

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Popular Name: 1-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]-3-(4-methoxy-2-methyl-phenyl)urea 1-[[(3S)-1-ethylpyrrolidin-3-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) 2.79 6.15 -43.36 3 5 1 55 292.403 5 ↓

Analogs

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Popular Name: 1-(2-chlorophenyl)-3-[[(3R)-1-isopropylpyrrolidin-3-yl]methyl]urea 1-(2-chlorophenyl)-3-[[(3R)-1-is…

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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) 3.28 7.16 -38.53 3 4 1 46 296.822 4 ↓

Analogs

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Popular Name: 1-(2-chlorophenyl)-3-[[(3S)-1-isopropylpyrrolidin-3-yl]methyl]urea 1-(2-chlorophenyl)-3-[[(3S)-1-is…

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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) 3.28 7.08 -38.46 3 4 1 46 296.822 4 ↓

Analogs

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Popular Name: 1-(4-chlorophenyl)-3-[[(3R)-1-isopropylpyrrolidin-3-yl]methyl]urea 1-(4-chlorophenyl)-3-[[(3R)-1-is…

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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) 3.33 7.04 -40.96 3 4 1 46 296.822 4 ↓

Analogs

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Popular Name: 1-(4-chlorophenyl)-3-[[(3S)-1-isopropylpyrrolidin-3-yl]methyl]urea 1-(4-chlorophenyl)-3-[[(3S)-1-is…

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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) 3.33 7.03 -41.34 3 4 1 46 296.822 4 ↓

Analogs

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Popular Name: 1-(3-chlorophenyl)-3-[[(3R)-1-isopropylpyrrolidin-3-yl]methyl]urea 1-(3-chlorophenyl)-3-[[(3R)-1-is…

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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 7.02 -41.51 3 4 1 46 296.822 4 ↓

Analogs

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Popular Name: 1-(3-chlorophenyl)-3-[[(3S)-1-isopropylpyrrolidin-3-yl]methyl]urea 1-(3-chlorophenyl)-3-[[(3S)-1-is…

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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 6.98 -42.02 3 4 1 46 296.822 4 ↓

Analogs

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Popular Name: 1-(4-fluorophenyl)-3-[[(3R)-1-isopropylpyrrolidin-3-yl]methyl]urea 1-(4-fluorophenyl)-3-[[(3R)-1-is…

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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) 2.81 6.59 -41.7 3 4 1 46 280.367 4 ↓

Analogs

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Popular Name: 1-(4-fluorophenyl)-3-[[(3S)-1-isopropylpyrrolidin-3-yl]methyl]urea 1-(4-fluorophenyl)-3-[[(3S)-1-is…

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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) 2.81 6.57 -42.08 3 4 1 46 280.367 4 ↓

Analogs

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Popular Name: 1-[[(3S)-1-isopropylpyrrolidin-3-yl]methyl]-3-(p-tolyl)urea 1-[[(3S)-1-isopropylpyrrolidin-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) 3.10 7.08 -40.92 3 4 1 46 276.404 4 ↓

Analogs

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Popular Name: 1-[[(3R)-1-isopropylpyrrolidin-3-yl]methyl]-3-(p-tolyl)urea 1-[[(3R)-1-isopropylpyrrolidin-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) 3.10 7.05 -40.44 3 4 1 46 276.404 4 ↓

Analogs

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Popular Name: 1-[[(3R)-1-isopropylpyrrolidin-3-yl]methyl]-3-phenyl-urea 1-[[(3R)-1-isopropylpyrrolidin-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) 2.65 6.49 -40.14 3 4 1 46 262.377 4 ↓

Analogs

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Popular Name: 1-[[(3S)-1-isopropylpyrrolidin-3-yl]methyl]-3-phenyl-urea 1-[[(3S)-1-isopropylpyrrolidin-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) 2.65 6.46 -40.47 3 4 1 46 262.377 4 ↓

Analogs

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Popular Name: 1-[[(3S)-1-isopropylpyrrolidin-3-yl]methyl]-3-(m-tolyl)urea 1-[[(3S)-1-isopropylpyrrolidin-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) 3.08 7.12 -40.32 3 4 1 46 276.404 4 ↓

Analogs

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Popular Name: 1-[[(3R)-1-isopropylpyrrolidin-3-yl]methyl]-3-(m-tolyl)urea 1-[[(3R)-1-isopropylpyrrolidin-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) 3.08 7.05 -40.53 3 4 1 46 276.404 4 ↓

Analogs

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Popular Name: 1-(2-fluorophenyl)-3-[[(3R)-1-isopropylpyrrolidin-3-yl]methyl]urea 1-(2-fluorophenyl)-3-[[(3R)-1-is…

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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 6.64 -38.96 3 4 1 46 280.367 4 ↓
Lo Low (pH 4.5-6) 2.40 4.99 -89.16 4 4 2 51 281.375 5 ↓

Analogs

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Popular Name: 1-(2-fluorophenyl)-3-[[(3S)-1-isopropylpyrrolidin-3-yl]methyl]urea 1-(2-fluorophenyl)-3-[[(3S)-1-is…

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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 6.55 -38.96 3 4 1 46 280.367 4 ↓
Lo Low (pH 4.5-6) 2.40 4.91 -89.11 4 4 2 51 281.375 5 ↓

Analogs

46956448
46956448
46956450
46956450

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Popular Name: 1-(3-acetylphenyl)-3-[[(3R)-1-ethylpyrrolidin-3-yl]methyl]urea 1-(3-acetylphenyl)-3-[[(3R)-1-et…

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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 6.41 -47.89 3 5 1 63 290.387 5 ↓

Analogs

46956448
46956448
46956450
46956450

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-acetylphenyl)-3-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]urea 1-(3-acetylphenyl)-3-[[(3S)-1-et…

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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 6.36 -48.88 3 5 1 63 290.387 5 ↓

Analogs

46956060
46956060
48507704
48507704
48507707
48507707

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-acetylphenyl)-3-[[(3R)-1-ethylpyrrolidin-3-yl]methyl]urea 1-(4-acetylphenyl)-3-[[(3R)-1-et…

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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 6.44 -45.6 3 5 1 63 290.387 5 ↓

Analogs

46956060
46956060
48507704
48507704
48507707
48507707

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-acetylphenyl)-3-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]urea 1-(4-acetylphenyl)-3-[[(3S)-1-et…

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Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.25 6.38 -45.56 3 5 1 63 290.387 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,3-difluorophenyl)-3-[[(3R)-1-ethylpyrrolidin-3-yl]methyl]urea 1-(2,3-difluorophenyl)-3-[[(3R)-…

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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) 2.59 6.19 -41.23 3 4 1 46 284.33 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,3-difluorophenyl)-3-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]urea 1-(2,3-difluorophenyl)-3-[[(3S)-…

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Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.59 6.13 -41.11 3 4 1 46 284.33 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-acetylphenyl)-3-[[(3S)-1-methylpyrrolidin-3-yl]methyl]urea 1-(3-acetylphenyl)-3-[[(3S)-1-me…

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Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.85 5.71 -50.07 3 5 1 63 276.36 4 ↓

Analogs

46956448
46956448
46956450
46956450

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-acetylphenyl)-3-[[(3R)-1-methylpyrrolidin-3-yl]methyl]urea 1-(3-acetylphenyl)-3-[[(3R)-1-me…

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Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.85 5.71 -49.21 3 5 1 63 276.36 4 ↓

Analogs

48507704
48507704
48507707
48507707

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-acetylphenyl)-3-[[(3S)-1-methylpyrrolidin-3-yl]methyl]urea 1-(4-acetylphenyl)-3-[[(3S)-1-me…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.88 5.71 -47.17 3 5 1 63 276.36 4 ↓

Analogs

48507704
48507704
48507707
48507707

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-acetylphenyl)-3-[[(3R)-1-methylpyrrolidin-3-yl]methyl]urea 1-(4-acetylphenyl)-3-[[(3R)-1-me…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.88 5.71 -46.72 3 5 1 63 276.36 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(3R)-1-ethylpyrrolidin-3-yl]methyl]-3-[3-[(1R)-1-hydroxyethyl]phenyl]urea 1-[[(3R)-1-ethylpyrrolidin-3-yl]…

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Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.89 4.25 -42.29 4 5 1 66 292.403 5 ↓

Analogs

46955826
46955826
46955828
46955828
46956448
46956448
46956450
46956450
46956905
46956905

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]-3-[3-[(1R)-1-hydroxyethyl]phenyl]urea 1-[[(3S)-1-ethylpyrrolidin-3-yl]…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.89 4.2 -42.82 4 5 1 66 292.403 5 ↓

Parameters Provided:

ring.id = 29814
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 = 29814 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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