UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-(3-imidazol-1-ylpropyl)-3-[3-(trifluoromethoxy)phenyl]urea 1-(3-imidazol-1-ylpropyl)-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) 2.34 6.5 -40.94 3 6 1 69 329.302 7 ↓
Mid Mid (pH 6-8) 2.34 5.99 -13.02 2 6 0 68 328.294 7 ↓

Analogs

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Popular Name: 1-(2-bromo-4-fluoro-phenyl)-3-(3-imidazol-1-ylpropyl)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) 2.30 7.56 -39.27 3 5 1 60 342.192 5 ↓
Mid Mid (pH 6-8) 2.30 7.05 -11.35 2 5 0 59 341.184 5 ↓

Analogs

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Popular Name: 2-chloro-4-(3-imidazol-1-ylpropylcarbamoylamino)-N-methyl-benzamide 2-chloro-4-(3-imidazol-1-ylpropy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.20 5.55 -51.55 4 7 1 89 336.803 6 ↓
Mid Mid (pH 6-8) 1.20 5.03 -23.42 3 7 0 88 335.795 6 ↓

Analogs

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Popular Name: 1-(4-ethoxy-3-fluoro-phenyl)-3-(3-imidazol-1-ylpropyl)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) 1.92 7 -43.19 3 6 1 69 307.349 7 ↓
Mid Mid (pH 6-8) 1.92 6.49 -15.06 2 6 0 68 306.341 7 ↓

Analogs

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Popular Name: 1-(3,5-difluoro-4-methoxy-phenyl)-3-(3-imidazol-1-ylpropyl)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) 1.64 6.25 -44.29 3 6 1 69 311.312 6 ↓
Mid Mid (pH 6-8) 1.64 5.74 -15.78 2 6 0 68 310.304 6 ↓

Analogs

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Popular Name: 1-(3-imidazol-1-ylpropyl)-3-(2-methyl-4-propoxy-phenyl)urea 1-(3-imidazol-1-ylpropyl)-3-(2-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) 2.71 8.65 -42.02 3 6 1 69 317.413 8 ↓
Mid Mid (pH 6-8) 2.71 8.14 -14.31 2 6 0 68 316.405 8 ↓

Analogs

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Popular Name: 1-(3-imidazol-1-ylpropyl)-3-(4-methoxy-3-methyl-phenyl)urea 1-(3-imidazol-1-ylpropyl)-3-(4-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) 1.83 6.76 -42.5 3 6 1 69 289.359 6 ↓
Mid Mid (pH 6-8) 1.83 6.24 -15.23 2 6 0 68 288.351 6 ↓

Analogs

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Popular Name: 1-(5-bromo-2-methoxy-phenyl)-3-(3-imidazol-1-ylpropyl)urea 1-(5-bromo-2-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) 2.19 6.77 -40.74 3 6 1 69 354.228 6 ↓
Mid Mid (pH 6-8) 2.19 6.26 -14 2 6 0 68 353.22 6 ↓

Analogs

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Popular Name: 1-(3,4-dimethoxyphenyl)-3-(3-imidazol-1-ylpropyl)urea 1-(3,4-dimethoxyphenyl)-3-(3-imi…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
QPCT-1-E Glutaminyl-peptide Cyclotransferase (cluster #1 Of 1), Eukaryotic Eukaryotes 490 0.40 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
QPCT_HUMAN Q16769 Glutaminyl-peptide Cyclotransferase, Human 490 0.40 Binding ≤ 1μM
QPCT_HUMAN Q16769 Glutaminyl-peptide Cyclotransferase, Human 490 0.40 Binding ≤ 10μM

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) 1.04 5.4 -16.79 2 7 0 77 304.35 7 ↓
Mid Mid (pH 6-8) 1.04 5.91 -44.98 3 7 1 79 305.358 7 ↓

Analogs

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Popular Name: 1-[2-(ethoxymethyl)phenyl]-3-(3-imidazol-1-ylpropyl)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) 1.68 7.77 -42 3 6 1 69 303.386 8 ↓
Mid Mid (pH 6-8) 1.68 7.26 -14.11 2 6 0 68 302.378 8 ↓

Analogs

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Popular Name: 1-(3,5-dichloro-4-methoxy-phenyl)-3-(3-imidazol-1-ylpropyl)urea 1-(3,5-dichloro-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) 2.67 7.23 -42.57 3 6 1 69 344.222 6 ↓
Mid Mid (pH 6-8) 2.67 6.71 -14.34 2 6 0 68 343.214 6 ↓

Analogs

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Popular Name: 2-[2-(3-imidazol-1-ylpropylcarbamoylamino)phenyl]-N,N-dimethyl-acetamide 2-[2-(3-imidazol-1-ylpropylcarba…

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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) 0.44 7.86 -47.13 3 7 1 81 330.412 7 ↓
Mid Mid (pH 6-8) 0.44 7.35 -19.27 2 7 0 79 329.404 7 ↓

Analogs

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Popular Name: 1-(3-chloro-2-methoxy-phenyl)-3-(3-imidazol-1-ylpropyl)urea 1-(3-chloro-2-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) 2.04 6.8 -40.32 3 6 1 69 309.777 6 ↓
Mid Mid (pH 6-8) 2.04 6.29 -12.7 2 6 0 68 308.769 6 ↓

Analogs

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Popular Name: N,N-diallyl-4-(3-imidazol-1-ylpropylcarbamoylamino)benzamide N,N-diallyl-4-(3-imidazol-1-ylpr…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.65 9.39 -45.72 3 7 1 81 368.461 10 ↓
Mid Mid (pH 6-8) 1.65 8.87 -17.14 2 7 0 79 367.453 10 ↓

Analogs

44205119
44205119

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Popular Name: 1-(3-allyloxyphenyl)-3-(3-imidazol-1-ylpropyl)urea 1-(3-allyloxyphenyl)-3-(3-imidaz…

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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 7.52 -41.23 3 6 1 69 301.37 8 ↓
Mid Mid (pH 6-8) 2.08 7 -14.15 2 6 0 68 300.362 8 ↓

Analogs

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Popular Name: 2-[2-(3-imidazol-1-ylpropylcarbamoylamino)-5-methyl-phenoxy]-N,N-dimethyl-acetamide 2-[2-(3-imidazol-1-ylpropylcarba…

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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 8.35 -45.18 3 8 1 90 360.438 8 ↓
Mid Mid (pH 6-8) 0.74 7.83 -20.67 2 8 0 88 359.43 8 ↓

Analogs

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Popular Name: 1-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-3-[2-(trifluoromethyl)phenyl]urea 1-[(2S)-2-methyl-3-(2-methylimid…

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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 8.42 -35.24 3 5 1 60 341.357 6 ↓
Mid Mid (pH 6-8) 2.81 7.94 -11.86 2 5 0 59 340.349 6 ↓

Analogs

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Popular Name: 1-[(2R)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-3-[2-(trifluoromethyl)phenyl]urea 1-[(2R)-2-methyl-3-(2-methylimid…

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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 8.52 -35.41 3 5 1 60 341.357 6 ↓
Mid Mid (pH 6-8) 2.81 8.04 -11.81 2 5 0 59 340.349 6 ↓

Analogs

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Popular Name: 1-[(2S)-3-imidazol-1-yl-2-methyl-propyl]-3-[2-(trifluoromethyl)phenyl]urea 1-[(2S)-3-imidazol-1-yl-2-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) 2.72 8.59 -38.55 3 5 1 60 327.33 6 ↓
Mid Mid (pH 6-8) 2.72 8.08 -11.61 2 5 0 59 326.322 6 ↓

Analogs

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Popular Name: 1-[(2R)-3-imidazol-1-yl-2-methyl-propyl]-3-[2-(trifluoromethyl)phenyl]urea 1-[(2R)-3-imidazol-1-yl-2-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) 2.72 8.3 -38.17 3 5 1 60 327.33 6 ↓
Mid Mid (pH 6-8) 2.72 7.79 -11.57 2 5 0 59 326.322 6 ↓

Analogs

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Popular Name: 1-[3-chloro-2-(2-methoxyethoxy)phenyl]-3-(3-imidazol-1-ylpropyl)urea 1-[3-chloro-2-(2-methoxyethoxy)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) 1.93 7.03 -42.65 3 7 1 79 353.83 9 ↓
Mid Mid (pH 6-8) 1.93 6.51 -14.42 2 7 0 77 352.822 9 ↓

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) 1.63 7.13 -44.04 3 7 1 87 317.369 7 ↓
Mid Mid (pH 6-8) 1.63 6.66 -20.99 2 7 0 85 316.361 7 ↓

Analogs

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Popular Name: 1-(2,5-dichlorophenyl)-3-[(2S)-3-imidazol-1-yl-2-methyl-propyl]urea 1-(2,5-dichlorophenyl)-3-[(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) 3.16 8.49 -39.23 3 5 1 60 328.223 5 ↓
Mid Mid (pH 6-8) 3.16 7.99 -11.74 2 5 0 59 327.215 5 ↓

Analogs

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Popular Name: 1-(2,5-dichlorophenyl)-3-[(2R)-3-imidazol-1-yl-2-methyl-propyl]urea 1-(2,5-dichlorophenyl)-3-[(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) 3.16 8.21 -38.76 3 5 1 60 328.223 5 ↓
Mid Mid (pH 6-8) 3.16 7.71 -11.68 2 5 0 59 327.215 5 ↓

Analogs

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Popular Name: 1-[3-(difluoromethoxy)-2-methyl-phenyl]-3-[3-(2-methylimidazol-1-yl)propyl]urea 1-[3-(difluoromethoxy)-2-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) 2.45 6.99 -40.73 3 6 1 69 339.366 7 ↓
Mid Mid (pH 6-8) 2.45 6.51 -16.54 2 6 0 68 338.358 7 ↓

Analogs

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Popular Name: 1-[3-(difluoromethoxy)-2-methyl-phenyl]-3-(3-imidazol-1-ylpropyl)urea 1-[3-(difluoromethoxy)-2-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) 2.36 7.24 -43.94 3 6 1 69 325.339 7 ↓
Mid Mid (pH 6-8) 2.36 6.73 -16.18 2 6 0 68 324.331 7 ↓

Analogs

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Popular Name: 1-[3-(2,2-difluoroethoxy)-4-methyl-phenyl]-3-(3-imidazol-1-ylpropyl)urea 1-[3-(2,2-difluoroethoxy)-4-meth…

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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 8.01 -46.92 3 6 1 69 339.366 8 ↓
Mid Mid (pH 6-8) 2.40 7.5 -18.76 2 6 0 68 338.358 8 ↓

Analogs

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Popular Name: 1-[(2S)-3-imidazol-1-yl-2-methyl-propyl]-3-(3-methoxyphenyl)urea 1-[(2S)-3-imidazol-1-yl-2-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) 1.91 6.64 -43.21 3 6 1 69 289.359 6 ↓
Mid Mid (pH 6-8) 1.91 6.13 -16.18 2 6 0 68 288.351 6 ↓

Analogs

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Popular Name: 1-[(2R)-3-imidazol-1-yl-2-methyl-propyl]-3-(3-methoxyphenyl)urea 1-[(2R)-3-imidazol-1-yl-2-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) 1.91 6.37 -42.85 3 6 1 69 289.359 6 ↓
Mid Mid (pH 6-8) 1.91 5.86 -16.06 2 6 0 68 288.351 6 ↓

Analogs

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Popular Name: 2-(3-imidazol-1-ylpropylcarbamoylamino)benzoic 2-(3-imidazol-1-ylpropylcarbamoy…

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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) 1.44 7.62 -65.55 3 7 0 100 288.307 6 ↓
Mid Mid (pH 6-8) 1.44 7.11 -50.39 2 7 -1 99 287.299 6 ↓

Analogs

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Popular Name: 4-(3-imidazol-1-ylpropylcarbamoylamino)benzoic 4-(3-imidazol-1-ylpropylcarbamoy…

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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) 1.31 7.25 -80.31 3 7 0 100 288.307 6 ↓
Mid Mid (pH 6-8) 1.31 6.73 -59.24 2 7 -1 99 287.299 6 ↓

Analogs

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Popular Name: 1-(3-acetylphenyl)-3-(3-imidazol-1-ylpropyl)urea 1-(3-acetylphenyl)-3-(3-imidazol…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.27 7.2 -47.9 3 6 1 77 287.343 6 ↓
Mid Mid (pH 6-8) 1.27 6.69 -22.3 2 6 0 76 286.335 6 ↓

Analogs

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Popular Name: 1-(2,3-difluorophenyl)-3-(3-imidazol-1-ylpropyl)urea 1-(2,3-difluorophenyl)-3-(3-imid…

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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) 1.63 6.9 -40.52 3 5 1 60 281.286 5 ↓
Mid Mid (pH 6-8) 1.63 6.38 -12.94 2 5 0 59 280.278 5 ↓

Analogs

43333862
43333862

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Popular Name: 1-[3-[(1S)-1-hydroxyethyl]phenyl]-3-(3-imidazol-1-ylpropyl)urea 1-[3-[(1S)-1-hydroxyethyl]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) 0.94 4.9 -42.66 4 6 1 80 289.359 6 ↓
Mid Mid (pH 6-8) 0.94 4.38 -15.22 3 6 0 79 288.351 6 ↓

Analogs

43333862
43333862

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Popular Name: 1-[3-[(1R)-1-hydroxyethyl]phenyl]-3-(3-imidazol-1-ylpropyl)urea 1-[3-[(1R)-1-hydroxyethyl]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) 0.94 4.87 -43.04 4 6 1 80 289.359 6 ↓
Mid Mid (pH 6-8) 0.94 4.36 -15.71 3 6 0 79 288.351 6 ↓

Analogs

48470484
48470484

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Popular Name: 1-[4-[(1S)-1-hydroxyethyl]phenyl]-3-(3-imidazol-1-ylpropyl)urea 1-[4-[(1S)-1-hydroxyethyl]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) 0.96 4.91 -43.57 4 6 1 80 289.359 6 ↓
Mid Mid (pH 6-8) 0.96 4.39 -16.77 3 6 0 79 288.351 6 ↓

Analogs

48470484
48470484

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-[(1R)-1-hydroxyethyl]phenyl]-3-(3-imidazol-1-ylpropyl)urea 1-[4-[(1R)-1-hydroxyethyl]phenyl…

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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) 0.96 4.86 -43.24 4 6 1 80 289.359 6 ↓
Mid Mid (pH 6-8) 0.96 4.35 -16.42 3 6 0 79 288.351 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-(3-imidazol-1-ylpropyl)urea 1-[2-ethoxy-5-(trifluoromethyl)p…

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) 2.65 8.1 -41.19 3 6 1 69 357.356 8 ↓
Mid Mid (pH 6-8) 2.65 7.59 -14.48 2 6 0 68 356.348 8 ↓

Parameters Provided:

ring.id = 3783
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 = 3783 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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