UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: GPA-878 GPA-878

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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) 1.19 0.47 -12.45 1 4 0 47 204.229 2 ↓

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) 3.54 13.21 -48.6 2 7 1 81 485.555 10 ↓
Lo Low (pH 4.5-6) 3.54 13.62 -98.84 3 7 2 83 486.563 10 ↓

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) 5.18 15.04 -46.7 2 6 1 69 484.567 10 ↓

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) 5.18 15.12 -47.92 2 6 1 69 484.567 10 ↓

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) 4.31 13.42 -45.21 2 8 1 81 515.581 11 ↓
Hi High (pH 8-9.5) 4.31 11.22 -12.11 1 8 0 80 514.573 11 ↓

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) 4.68 14.26 -47.82 2 6 1 69 470.54 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) 4.82 13.59 -46.55 2 8 1 87 492.596 10 ↓

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) 4.79 15.03 -45.7 2 6 1 69 484.567 10 ↓

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 11.58 -44.51 4 9 1 115 528.58 11 ↓
Hi High (pH 8-9.5) 3.07 9.35 -16.37 3 9 0 114 527.572 11 ↓

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) 4.89 15.67 -49.93 2 9 1 114 493.584 11 ↓

Analogs

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Popular Name: 4-(1,3-benzodioxol-5-yl)-2-oxo-3-[5-(4-phenyl-1-piperidyl)pentyl]-1H-imidazole-5-carboxylic 4-(1,3-benzodioxol-5-yl)-2-oxo-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) 4.56 12.08 -76.54 2 8 0 101 477.561 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) 3.42 9.15 -9.75 1 5 0 64 403.223 8 ↓

Analogs

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Popular Name: 3-[2-[(3R)-3-(6-methoxynaphthalene-2-carbonyl)-1-piperidyl]ethyl]-1H-imidazol-2-one 3-[2-[(3R)-3-(6-methoxynaphthale…

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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 10.39 -52.95 2 6 1 69 380.468 6 ↓
Mid Mid (pH 6-8) 2.81 8.17 -17.98 1 6 0 67 379.46 6 ↓

Analogs

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Popular Name: 3-[2-[(3S)-3-(6-methoxynaphthalene-2-carbonyl)-1-piperidyl]ethyl]-1H-imidazol-2-one 3-[2-[(3S)-3-(6-methoxynaphthale…

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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 10.39 -52.16 2 6 1 69 380.468 6 ↓
Mid Mid (pH 6-8) 2.81 8.17 -17.69 1 6 0 67 379.46 6 ↓

Analogs

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Popular Name: (2R)-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]-2-phenyl-propanoic (2R)-2-[(2-oxo-1,3-dihydroimidaz…

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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) 0.28 3.2 -60.62 3 7 -1 118 274.256 4 ↓

Analogs

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Popular Name: (2S)-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]-2-phenyl-propanoic (2S)-2-[(2-oxo-1,3-dihydroimidaz…

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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) 0.28 3.2 -60.61 3 7 -1 118 274.256 4 ↓

Analogs

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Popular Name: N-[[4-(2-aminoethyl)phenyl]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide N-[[4-(2-aminoethyl)phenyl]methy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.62 0.07 -61.18 6 6 1 105 261.305 5 ↓

Analogs

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Popular Name: 4-(3-benzhydryl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)-1,3-dihydroimidazol-2-one 4-(3-benzhydryl-1,4,6,7-tetrahyd…

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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) 2.63 8.16 -14.63 3 7 0 98 399.454 4 ↓

Analogs

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Popular Name: 4-[2-[[(1R)-1,2-dimethylpropyl]amino]-4-pyridyl]-5-(4-fluorophenyl)-1,3-dihydroimidazol-2-one 4-[2-[[(1R)-1,2-dimethylpropyl]a…

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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) 3.44 7 -8.53 3 5 0 74 340.402 5 ↓
Mid Mid (pH 6-8) 3.69 7.58 -37.12 4 5 1 75 341.41 4 ↓

Analogs

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Popular Name: 4-[2-[[(1S)-1,2-dimethylpropyl]amino]-4-pyridyl]-5-(4-fluorophenyl)-1,3-dihydroimidazol-2-one 4-[2-[[(1S)-1,2-dimethylpropyl]a…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MK14-1-E MAP Kinase P38 Alpha (cluster #1 Of 3), Eukaryotic Eukaryotes 49 0.41 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
MK14_HUMAN Q16539 MAP Kinase P38 Alpha, Human 49 0.41 Binding ≤ 1μM
MK14_HUMAN Q16539 MAP Kinase P38 Alpha, Human 49 0.41 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) 3.44 6.8 -8.65 3 5 0 74 340.402 5 ↓
Mid Mid (pH 6-8) 3.69 7.79 -37.1 4 5 1 75 341.41 4 ↓

Analogs

67921509
67921509

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Popular Name: N-[[2-(2,6-dimethylphenoxy)-3-pyridyl]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide N-[[2-(2,6-dimethylphenoxy)-3-py…

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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 -4.56 -18.7 3 7 0 100 338.367 5 ↓
Lo Low (pH 4.5-6) 2.01 -3.96 -49.47 4 7 1 101 339.375 5 ↓

Analogs

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Popular Name: N-cyclopropyl-N-(2-hydroxyethyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide N-cyclopropyl-N-(2-hydroxyethyl)…

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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) -1.02 -0.64 -11.45 3 6 0 89 211.221 4 ↓

Analogs

44512524
44512524

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Popular Name: 4-(4-aminopiperidine-1-carbonyl)-1,3-dihydroimidazol-2-one 4-(4-aminopiperidine-1-carbonyl)…

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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) -1.49 -1.53 -58.24 5 6 1 97 211.245 1 ↓

Analogs

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Popular Name: N-(2-aminoethyl)-N-methyl-2-oxo-1,3-dihydroimidazole-4-carboxamide N-(2-aminoethyl)-N-methyl-2-oxo-…

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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) -1.95 -1.78 -53.1 5 6 1 97 185.207 3 ↓
Hi High (pH 8-9.5) -1.95 -2.17 -11.85 4 6 0 95 184.199 3 ↓

Analogs

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Popular Name: 4-amino-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]-1,2,5-oxadiazole-3-carboxamide 4-amino-N-[4-(2-oxo-1H-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) 0.11 1.82 -14.37 4 9 0 132 286.251 3 ↓

Analogs

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Popular Name: (2R)-3-chloro-2-methyl-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]propanamide (2R)-3-chloro-2-methyl-N-[4-(2-o…

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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 5.55 -19.4 2 5 0 67 279.727 4 ↓

Analogs

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Popular Name: (2S)-3-chloro-2-methyl-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]propanamide (2S)-3-chloro-2-methyl-N-[4-(2-o…

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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 5.57 -19.47 2 5 0 67 279.727 4 ↓

Analogs

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Popular Name: 4-(3,4-dimethoxyphenyl)-1-(2,4-dimethylphenyl)imidazol-2-ol 4-(3,4-dimethoxyphenyl)-1-(2,4-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) 3.27 9.27 -14.31 1 5 0 56 324.38 4 ↓

Analogs

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Popular Name: 4-(3,4-dimethoxyphenyl)-1-(m-tolyl)imidazol-2-ol 4-(3,4-dimethoxyphenyl)-1-(m-tol…

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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) 2.87 8.05 -15.36 1 5 0 56 310.353 4 ↓

Analogs

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Popular Name: 3-[4-(1H-imidazol-5-ylmethylamino)phenyl]-1H-imidazol-2-one 3-[4-(1H-imidazol-5-ylmethylamin…

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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) 0.40 5.29 -47.29 4 6 1 80 256.289 4 ↓
Mid Mid (pH 6-8) 0.40 4.81 -17.61 3 6 0 79 255.281 4 ↓

Analogs

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Popular Name: 3-[4-(pyrazin-2-ylmethylamino)phenyl]-1H-imidazol-2-one 3-[4-(pyrazin-2-ylmethylamino)ph…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.70 3.54 -15.61 2 6 0 76 267.292 4 ↓

Analogs

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Popular Name: 3-[4-(pyrimidin-5-ylmethylamino)phenyl]-1H-imidazol-2-one 3-[4-(pyrimidin-5-ylmethylamino)…

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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) 0.06 5.26 -15.1 2 6 0 76 267.292 4 ↓

Analogs

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Popular Name: 3-[4-(thiazol-5-ylmethylamino)phenyl]-1H-imidazol-2-one 3-[4-(thiazol-5-ylmethylamino)ph…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.34 4.53 -14.77 2 5 0 63 272.333 4 ↓

Analogs

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Popular Name: 3-[4-(pyrimidin-4-ylmethylamino)phenyl]-1H-imidazol-2-one 3-[4-(pyrimidin-4-ylmethylamino)…

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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) 0.48 5.21 -15.59 2 6 0 76 267.292 4 ↓

Analogs

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Popular Name: 3-[4-[(2-methylpyrimidin-4-yl)methylamino]phenyl]-1H-imidazol-2-one 3-[4-[(2-methylpyrimidin-4-yl)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) 0.57 5.17 -16.68 2 6 0 76 281.319 4 ↓

Analogs

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Popular Name: 3-[4-[(1-methyltriazol-4-yl)methylamino]phenyl]-1H-imidazol-2-one 3-[4-[(1-methyltriazol-4-yl)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) 0.32 3.75 -20.65 2 7 0 81 270.296 4 ↓

Analogs

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Popular Name: 4-methyl-1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-3-(3-nitrophenyl)imidazol-2-one 4-methyl-1-[(6-nitro-4H-1,3-benz…

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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 12.81 -17.66 0 11 0 137 412.358 5 ↓

Analogs

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Popular Name: 4-[[[3-(4-chlorophenyl)-4-methyl-2-oxo-imidazol-1-yl]methyl-methyl-amino]methyl]-N-methyl-benzamide 4-[[[3-(4-chlorophenyl)-4-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) 2.49 9.25 -17.89 1 6 0 59 398.894 6 ↓
Lo Low (pH 4.5-6) 2.49 11.53 -56.99 2 6 1 60 399.902 6 ↓

Analogs

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Popular Name: 3-(4-acetylphenyl)-1-[(2S)-3-(2,5-dichlorophenoxy)-2-hydroxy-propyl]-4-methyl-imidazol-2-one 3-(4-acetylphenyl)-1-[(2S)-3-(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) 3.42 10.28 -22.18 1 6 0 73 435.307 7 ↓

Analogs

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Popular Name: 3-(4-acetylphenyl)-1-[(2R)-3-(2,5-dichlorophenoxy)-2-hydroxy-propyl]-4-methyl-imidazol-2-one 3-(4-acetylphenyl)-1-[(2R)-3-(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) 3.42 10.21 -20.53 1 6 0 73 435.307 7 ↓

Analogs

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Popular Name: 3-(4-acetylphenyl)-1-[(2S)-3-(2,4-dichlorophenoxy)-2-hydroxy-propyl]-4-methyl-imidazol-2-one 3-(4-acetylphenyl)-1-[(2S)-3-(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) 3.42 10.19 -21.91 1 6 0 73 435.307 7 ↓

Analogs

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Popular Name: 3-(4-acetylphenyl)-1-[(2R)-3-(2,4-dichlorophenoxy)-2-hydroxy-propyl]-4-methyl-imidazol-2-one 3-(4-acetylphenyl)-1-[(2R)-3-(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) 3.42 10.13 -20.16 1 6 0 73 435.307 7 ↓

Analogs

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Popular Name: 1-[[3-(4-chlorophenyl)-4-methyl-2-oxo-imidazol-1-yl]methyl]-N-(2-pyridyl)piperidine-4-carboxamide 1-[[3-(4-chlorophenyl)-4-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) 2.57 10.89 -23.66 1 7 0 72 425.92 5 ↓
Lo Low (pH 4.5-6) 2.57 13.06 -58.27 2 7 1 73 426.928 5 ↓

Analogs

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Popular Name: 1-(1-benzyl-4-piperidyl)-3-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]urea 1-(1-benzyl-4-piperidyl)-3-[2-(4…

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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 10.16 -50.22 4 7 1 83 406.51 5 ↓
Hi High (pH 8-9.5) 2.62 7.91 -14.42 3 7 0 82 405.502 5 ↓

Analogs

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Popular Name: N-[(3S)-1-[[3-(4-chlorophenyl)-4-methyl-2-oxo-imidazol-1-yl]methyl]-3-piperidyl]methanesulfonamide N-[(3S)-1-[[3-(4-chlorophenyl)-4…

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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) 1.45 5.41 -18.55 1 7 0 76 398.916 5 ↓
Lo Low (pH 4.5-6) 1.45 7.75 -58.49 2 7 1 78 399.924 5 ↓

Analogs

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Popular Name: N-[(3R)-1-[[3-(4-chlorophenyl)-4-methyl-2-oxo-imidazol-1-yl]methyl]-3-piperidyl]methanesulfonamide N-[(3R)-1-[[3-(4-chlorophenyl)-4…

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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) 1.45 5.27 -18.14 1 7 0 76 398.916 5 ↓
Lo Low (pH 4.5-6) 1.45 7.45 -52.96 2 7 1 78 399.924 5 ↓

Analogs

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Popular Name: 1-[[4-(methoxymethyl)phenyl]methyl]-3-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]urea 1-[[4-(methoxymethyl)phenyl]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) 2.16 6.8 -15.11 3 7 0 88 366.421 6 ↓

Analogs

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Popular Name: 3-[3-[(E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoyl]phenyl]-5-phenyl-1H-imidazol-2-one 3-[3-[(E)-3-(4-hydroxy-3-methoxy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.99 10.07 -25.42 2 6 0 84 412.445 6 ↓

Analogs

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Popular Name: 1-[[cyclopropyl-[(3-fluorophenyl)methyl]amino]methyl]-4-methyl-3-(5-methylisoxazol-3-yl)imidazol-2-o 1-[[cyclopropyl-[(3-fluorophenyl…

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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) 2.38 11.16 -12.83 0 6 0 56 356.401 6 ↓
Lo Low (pH 4.5-6) 2.38 13.05 -46.25 1 6 1 57 357.409 6 ↓

Analogs

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Popular Name: 5-(4-methoxyphenyl)-3-[3-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]phenyl]-1H-imidazol-2-one 5-(4-methoxyphenyl)-3-[3-[(E)-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) 4.34 11.39 -27.59 1 8 0 92 486.524 9 ↓

Parameters Provided:

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filter.purchasability = annotated
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Structural Results Found: (before additional filtering)

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