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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]ethoxy]ethyl]-1-heptyl-3-isopropyl-urea 1-[2-[2-[(4,5-diphenyl-1H-imidaz…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SOAT1-1-E Acyl Coenzyme A:cholesterol Acyltransferase 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 990 0.23 Binding ≤ 10μM
SOAT2-1-E Acyl Coenzyme A:cholesterol Acyltransferase 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 990 0.23 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SOAT1_MOUSE Q61263 Acyl Coenzyme A:cholesterol Acyltransferase 1, Mouse 990 0.23 Binding ≤ 1μM
SOAT1_RAT O70536 Acyl Coenzyme A:cholesterol Acyltransferase 1, Rat 190 0.25 Binding ≤ 1μM
SOAT2_MOUSE O88908 Acyl Coenzyme A:cholesterol Acyltransferase 2, Mouse 990 0.23 Binding ≤ 1μM
SOAT1_MOUSE Q61263 Acyl Coenzyme A:cholesterol Acyltransferase 1, Mouse 990 0.23 Binding ≤ 10μM
SOAT1_RAT O70536 Acyl Coenzyme A:cholesterol Acyltransferase 1, Rat 190 0.25 Binding ≤ 10μM
SOAT2_MOUSE O88908 Acyl Coenzyme A:cholesterol Acyltransferase 2, Mouse 990 0.23 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) 8.03 16.57 -17.02 2 6 0 70 522.759 16 ↓
Lo Low (pH 4.5-6) 8.03 17 -29.55 3 6 1 71 523.767 16 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[5-[[4,5-bis(4-dimethylaminophenyl)-1H-imidazol-2-yl]sulfanyl]pentyl]-1-heptyl-3-isopropyl-urea 1-[5-[[4,5-bis(4-dimethylaminoph…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SOAT1-1-E Acyl Coenzyme A:cholesterol Acyltransferase 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 3 0.28 Binding ≤ 10μM
SOAT2-1-E Acyl Coenzyme A:cholesterol Acyltransferase 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 3 0.28 Binding ≤ 10μM
SOAT1-1-E Acyl Coenzyme A:cholesterol Acyltransferase 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 1 0.29 Functional ≤ 10μM
SOAT2-1-E Acyl Coenzyme A:cholesterol Acyltransferase 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 1 0.29 Functional ≤ 10μM
Z50597-1-O Rattus Norvegicus (cluster #1 Of 12), Other Other 80 0.23 Functional ≤ 10μM
Z81244-1-O J774 (Macrophage Cells) (cluster #1 Of 1), Other Other 4 0.27 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SOAT1_MOUSE Q61263 Acyl Coenzyme A:cholesterol Acyltransferase 1, Mouse 3 0.28 Binding ≤ 1μM
SOAT1_RAT O70536 Acyl Coenzyme A:cholesterol Acyltransferase 1, Rat 80 0.23 Binding ≤ 1μM
SOAT2_MOUSE O88908 Acyl Coenzyme A:cholesterol Acyltransferase 2, Mouse 3 0.28 Binding ≤ 1μM
SOAT1_MOUSE Q61263 Acyl Coenzyme A:cholesterol Acyltransferase 1, Mouse 3 0.28 Binding ≤ 10μM
SOAT1_RAT O70536 Acyl Coenzyme A:cholesterol Acyltransferase 1, Rat 80 0.23 Binding ≤ 10μM
SOAT2_MOUSE O88908 Acyl Coenzyme A:cholesterol Acyltransferase 2, Mouse 3 0.28 Binding ≤ 10μM
SOAT1_MOUSE Q61263 Acyl Coenzyme A:cholesterol Acyltransferase 1, Mouse 0.6 0.30 Functional ≤ 10μM
SOAT2_MOUSE O88908 Acyl Coenzyme A:cholesterol Acyltransferase 2, Mouse 0.6 0.30 Functional ≤ 10μM
Z81244 Z81244 J774 (Macrophage Cells) 4 0.27 Functional ≤ 10μM
Z50597 Z50597 Rattus Norvegicus 80 0.23 Functional ≤ 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) 8.83 19.19 -15.27 2 7 0 67 606.925 18 ↓
Lo Low (pH 4.5-6) 8.83 19.61 -32.1 3 7 1 69 607.933 18 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[5-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]pentyl]-1-heptyl-3-isopropyl-urea 1-[5-[[4,5-bis(4-methoxyphenyl)-…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SOAT1-1-E Acyl Coenzyme A:cholesterol Acyltransferase 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 4 0.29 Binding ≤ 10μM
SOAT2-1-E Acyl Coenzyme A:cholesterol Acyltransferase 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 4 0.29 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SOAT1_MOUSE Q61263 Acyl Coenzyme A:cholesterol Acyltransferase 1, Mouse 4 0.29 Binding ≤ 1μM
SOAT1_RAT O70536 Acyl Coenzyme A:cholesterol Acyltransferase 1, Rat 160 0.23 Binding ≤ 1μM
SOAT2_MOUSE O88908 Acyl Coenzyme A:cholesterol Acyltransferase 2, Mouse 4 0.29 Binding ≤ 1μM
SOAT1_MOUSE Q61263 Acyl Coenzyme A:cholesterol Acyltransferase 1, Mouse 4 0.29 Binding ≤ 10μM
SOAT1_RAT O70536 Acyl Coenzyme A:cholesterol Acyltransferase 1, Rat 160 0.23 Binding ≤ 10μM
SOAT2_MOUSE O88908 Acyl Coenzyme A:cholesterol Acyltransferase 2, Mouse 4 0.29 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) 8.79 17 -15.17 2 7 0 79 580.839 18 ↓
Lo Low (pH 4.5-6) 8.79 17.42 -36.64 3 7 1 81 581.847 18 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]ethoxy]ethyl]-1-heptyl-3-isopropyl-urea 1-[2-[2-[[4,5-bis(4-methoxypheny…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SOAT1-1-E Acyl Coenzyme A:cholesterol Acyltransferase 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 340 0.22 Binding ≤ 10μM
SOAT2-1-E Acyl Coenzyme A:cholesterol Acyltransferase 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 340 0.22 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SOAT1_MOUSE Q61263 Acyl Coenzyme A:cholesterol Acyltransferase 1, Mouse 340 0.22 Binding ≤ 1μM
SOAT1_RAT O70536 Acyl Coenzyme A:cholesterol Acyltransferase 1, Rat 850 0.21 Binding ≤ 1μM
SOAT2_MOUSE O88908 Acyl Coenzyme A:cholesterol Acyltransferase 2, Mouse 340 0.22 Binding ≤ 1μM
SOAT1_MOUSE Q61263 Acyl Coenzyme A:cholesterol Acyltransferase 1, Mouse 340 0.22 Binding ≤ 10μM
SOAT1_RAT O70536 Acyl Coenzyme A:cholesterol Acyltransferase 1, Rat 850 0.21 Binding ≤ 10μM
SOAT2_MOUSE O88908 Acyl Coenzyme A:cholesterol Acyltransferase 2, Mouse 340 0.22 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) 8.14 15.17 -17.78 2 8 0 89 582.811 18 ↓
Lo Low (pH 4.5-6) 8.14 15.59 -33.96 3 8 1 90 583.819 18 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]ethyl-methyl-amino]ethyl]-1-heptyl-3-isopropyl-urea 1-[2-[2-[(4,5-diphenyl-1H-imidaz…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SOAT1-1-E Acyl Coenzyme A:cholesterol Acyltransferase 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 2400 0.21 Binding ≤ 10μM
SOAT2-1-E Acyl Coenzyme A:cholesterol Acyltransferase 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 2400 0.21 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SOAT1_RAT O70536 Acyl Coenzyme A:cholesterol Acyltransferase 1, Rat 260 0.24 Binding ≤ 1μM
SOAT1_MOUSE Q61263 Acyl Coenzyme A:cholesterol Acyltransferase 1, Mouse 2400 0.21 Binding ≤ 10μM
SOAT1_RAT O70536 Acyl Coenzyme A:cholesterol Acyltransferase 1, Rat 260 0.24 Binding ≤ 10μM
SOAT2_MOUSE O88908 Acyl Coenzyme A:cholesterol Acyltransferase 2, Mouse 2400 0.21 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) 8.08 18 -44.98 3 6 1 65 536.81 16 ↓
Hi High (pH 8-9.5) 8.08 15.69 -13.15 2 6 0 64 535.802 16 ↓
Lo Low (pH 4.5-6) 8.08 18.45 -99.76 4 6 2 67 537.818 16 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]pentyl]-1-heptyl-3-propyl-urea 1-[5-[(4,5-diphenyl-1H-imidazol-…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SOAT1-1-E Acyl Coenzyme A:cholesterol Acyltransferase 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 10 0.30 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SOAT1_RAT O70536 Acyl Coenzyme A:cholesterol Acyltransferase 1, Rat 10 0.30 Binding ≤ 1μM
SOAT1_RAT O70536 Acyl Coenzyme A:cholesterol Acyltransferase 1, Rat 10 0.30 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) 8.83 18.34 -13.97 2 5 0 61 520.787 17 ↓
Lo Low (pH 4.5-6) 8.83 18.77 -32.17 3 5 1 62 521.795 17 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]pentyl]-1-heptyl-3-isopropyl-urea 1-[5-[(4,5-diphenyl-1H-imidazol-…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SOAT1-1-E Acyl Coenzyme A:cholesterol Acyltransferase 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 20 0.29 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SOAT1_RAT O70536 Acyl Coenzyme A:cholesterol Acyltransferase 1, Rat 20 0.29 Binding ≤ 1μM
SOAT1_RAT O70536 Acyl Coenzyme A:cholesterol Acyltransferase 1, Rat 20 0.29 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) 8.74 18.4 -13.93 2 5 0 61 520.787 16 ↓
Lo Low (pH 4.5-6) 8.74 18.82 -31.92 3 5 1 62 521.795 16 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]pentyl]-1-heptyl-urea 1-[5-[(4,5-diphenyl-1H-imidazol-…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SOAT1-1-E Acyl Coenzyme A:cholesterol Acyltransferase 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 910 0.25 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SOAT1_RAT O70536 Acyl Coenzyme A:cholesterol Acyltransferase 1, Rat 910 0.25 Binding ≤ 1μM
SOAT1_RAT O70536 Acyl Coenzyme A:cholesterol Acyltransferase 1, Rat 910 0.25 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) 7.50 15.26 -14.08 3 5 0 75 478.706 15 ↓
Lo Low (pH 4.5-6) 7.50 15.68 -32.49 4 5 1 76 479.714 15 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]pentyl]-1-heptyl-3-methyl-urea 1-[5-[(4,5-diphenyl-1H-imidazol-…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SOAT1-1-E Acyl Coenzyme A:cholesterol Acyltransferase 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 40 0.30 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SOAT1_RAT O70536 Acyl Coenzyme A:cholesterol Acyltransferase 1, Rat 40 0.30 Binding ≤ 1μM
SOAT1_RAT O70536 Acyl Coenzyme A:cholesterol Acyltransferase 1, Rat 40 0.30 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) 8.35 16.74 -14.39 2 5 0 61 492.733 15 ↓
Lo Low (pH 4.5-6) 8.35 17.16 -32.71 3 5 1 62 493.741 15 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: propyl propyl

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SOAT1-1-E Acyl Coenzyme A:cholesterol Acyltransferase 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 34 0.28 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SOAT1_RAT O70536 Acyl Coenzyme A:cholesterol Acyltransferase 1, Rat 34 0.28 Binding ≤ 1μM
SOAT1_RAT O70536 Acyl Coenzyme A:cholesterol Acyltransferase 1, Rat 34 0.28 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) 8.78 19.48 -12.06 1 5 0 58 521.771 18 ↓
Lo Low (pH 4.5-6) 8.78 19.9 -31.44 2 5 1 59 522.779 18 ↓

Analogs

6363752
6363752

Draw Identity 99% 90% 80% 70%

Popular Name: N-[5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]pentyl]-N-heptyl-2-methyl-propanamide N-[5-[(4,5-diphenyl-1H-imidazol-…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SOAT1-1-E Acyl Coenzyme A:cholesterol Acyltransferase 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 100 0.27 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SOAT1_RAT O70536 Acyl Coenzyme A:cholesterol Acyltransferase 1, Rat 100 0.27 Binding ≤ 1μM
SOAT1_RAT O70536 Acyl Coenzyme A:cholesterol Acyltransferase 1, Rat 100 0.27 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) 8.51 19 -13.15 1 4 0 49 505.772 16 ↓
Lo Low (pH 4.5-6) 8.51 19.45 -36.11 2 4 1 50 506.78 16 ↓

Analogs

13284342
13284342
6503261
6503261
6503811
6503811
6517042
6517042

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4,5-bis(p-tolyl)-1H-imidazol-2-yl]sulfanyl]-N-propyl-acetamide 2-[[4,5-bis(p-tolyl)-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) 5.07 10.57 -10.02 2 4 0 58 379.529 7 ↓
Mid Mid (pH 6-8) 5.07 10.99 -34.64 3 4 1 59 380.537 7 ↓

Analogs

44651826
44651826

Draw Identity 99% 90% 80% 70%

Popular Name: (4,5-diphenyl-1H-imidazol-2-yl)methanamine (4,5-diphenyl-1H-imidazol-2-yl)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) 2.56 6.14 -49.38 4 3 1 56 250.325 3 ↓
Mid Mid (pH 6-8) 2.56 5.74 -8.95 3 3 0 55 249.317 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(4,5-diphenyl-1H-imidazol-2-yl)ethanamine (1S)-1-(4,5-diphenyl-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) 1.24 6.92 -52.01 4 3 1 56 264.352 3 ↓
Hi High (pH 8-9.5) 1.24 6.61 -7.22 3 3 0 55 263.344 3 ↓
Mid Mid (pH 6-8) 1.24 7.31 -116.22 5 3 2 58 265.36 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(4,5-diphenyl-1H-imidazol-2-yl)ethanamine (1R)-1-(4,5-diphenyl-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) 1.24 6.64 -46.11 4 3 1 56 264.352 3 ↓
Hi High (pH 8-9.5) 1.24 6.34 -7.4 3 3 0 55 263.344 3 ↓
Mid Mid (pH 6-8) 1.24 7.31 -115.7 5 3 2 58 265.36 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(4,5-diphenyl-1H-imidazol-2-yl)propan-1-amine (1S)-1-(4,5-diphenyl-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) 1.75 7.75 -50.96 4 3 1 56 278.379 4 ↓
Hi High (pH 8-9.5) 1.75 7.45 -7.11 3 3 0 55 277.371 4 ↓
Lo Low (pH 4.5-6) 1.75 8.12 -115.96 5 3 2 58 279.387 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(4,5-diphenyl-1H-imidazol-2-yl)propan-1-amine (1R)-1-(4,5-diphenyl-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) 1.75 7.46 -44.98 4 3 1 56 278.379 4 ↓
Hi High (pH 8-9.5) 1.75 7.14 -7.14 3 3 0 55 277.371 4 ↓
Lo Low (pH 4.5-6) 1.75 8.12 -115.49 5 3 2 58 279.387 4 ↓

Analogs

13281668
13281668

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4,5-diphenyl-1H-imidazol-2-yl)propan-1-amine 3-(4,5-diphenyl-1H-imidazol-2-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) 2.63 7.64 -48.14 4 3 1 56 278.379 5 ↓
Mid Mid (pH 6-8) 2.63 8.1 -100.12 5 3 2 58 279.387 5 ↓

Analogs

36876337
36876337
13281668
13281668

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4,5-diphenyl-1H-imidazol-2-yl)ethanamine 2-(4,5-diphenyl-1H-imidazol-2-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) 2.36 6.87 -49.82 4 3 1 56 264.352 4 ↓
Lo Low (pH 4.5-6) 2.36 7.31 -110.15 5 3 2 58 265.36 4 ↓

Analogs

36877334
36877334
44651826
44651826

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4,5-diphenyl-1H-imidazol-2-yl)-N-methyl-methanamine 1-(4,5-diphenyl-1H-imidazol-2-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) 2.94 8.02 -43.6 3 3 1 45 264.352 4 ↓
Hi High (pH 8-9.5) 2.94 6.58 -7.06 2 3 0 41 263.344 4 ↓

Analogs

36874284
36874284
36876264
36876264
36876287
36876287

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethyl-4,5-diphenyl-1H-imidazole 2-ethyl-4,5-diphenyl-1H-imidazole

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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) 3.93 9.41 -8.3 1 2 0 29 248.329 3 ↓
Mid Mid (pH 6-8) 3.93 9.82 -27.98 2 2 1 30 249.337 3 ↓

Analogs

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Popular Name: N-[5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]pentyl]-N-heptyl-butanamide N-[5-[(4,5-diphenyl-1H-imidazol-…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SOAT1-1-E Acyl Coenzyme A:cholesterol Acyltransferase 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 30 0.29 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SOAT1_RAT O70536 Acyl Coenzyme A:cholesterol Acyltransferase 1, Rat 30 0.29 Binding ≤ 1μM
SOAT1_RAT O70536 Acyl Coenzyme A:cholesterol Acyltransferase 1, Rat 30 0.29 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) 8.68 19.13 -12.94 1 4 0 49 505.772 17 ↓
Mid Mid (pH 6-8) 8.68 19.54 -37.74 2 4 1 50 506.78 17 ↓

Analogs

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Popular Name: 4,5-diphenyl-1H-imidazole-2-carbaldehyde 4,5-diphenyl-1H-imidazole-2-carb…

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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 7.81 -13.83 1 3 0 46 248.285 3 ↓

Analogs

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Popular Name: (4,5-diphenyl-1H-imidazol-2-yl)methanol (4,5-diphenyl-1H-imidazol-2-yl)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 5.62 -8.75 2 3 0 49 250.301 3 ↓
Mid Mid (pH 6-8) 2.71 6.11 -28.42 3 3 1 50 251.309 3 ↓

Analogs

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Popular Name: (2S)-4-[5-(3,5-difluoro-4-methoxy-phenyl)-4-phenyl-imidazol-1-yl]butan-2-ol (2S)-4-[5-(3,5-difluoro-4-methox…

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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 9.23 -9.28 1 4 0 47 358.388 6 ↓
Mid Mid (pH 6-8) 3.58 9.82 -41.47 2 4 1 49 359.396 6 ↓

Analogs

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Popular Name: (2R)-4-[5-(3,5-difluoro-4-methoxy-phenyl)-4-phenyl-imidazol-1-yl]butan-2-ol (2R)-4-[5-(3,5-difluoro-4-methox…

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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 9.24 -9.26 1 4 0 47 358.388 6 ↓
Mid Mid (pH 6-8) 3.58 9.82 -38.09 2 4 1 49 359.396 6 ↓

Analogs

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Popular Name: 2-[3-(2-ethoxyethyl)-5-phenyl-imidazol-4-yl]benzoic 2-[3-(2-ethoxyethyl)-5-phenyl-im…

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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) 3.23 11.68 -56.56 0 5 -1 67 335.383 7 ↓
Mid Mid (pH 6-8) 3.23 12.28 -46.67 1 5 0 68 336.391 7 ↓

Analogs

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Popular Name: 4-[3-[4-(methylamino)butyl]-5-phenyl-imidazol-4-yl]phenol 4-[3-[4-(methylamino)butyl]-5-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) 3.19 9.39 -49.08 3 4 1 55 322.432 7 ↓
Mid Mid (pH 6-8) 3.19 9.97 -93.71 4 4 2 56 323.44 7 ↓

Analogs

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Popular Name: [2-[(4R)-5-phenyl-4H-imidazol-4-yl]phenyl]methanol [2-[(4R)-5-phenyl-4H-imidazol-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) 2.56 6.32 -9.18 2 3 0 49 250.301 3 ↓
Mid Mid (pH 6-8) 2.56 6.76 -38.59 3 3 1 50 251.309 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-(2-fluoro-4-methoxy-phenyl)-4-phenyl-imidazol-1-yl]-N-methyl-ethanesulfonamide 2-[5-(2-fluoro-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) 2.65 7.02 -16.3 1 6 0 73 389.452 7 ↓
Mid Mid (pH 6-8) 2.65 7.55 -44.71 2 6 1 74 390.46 7 ↓

Analogs

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Popular Name: 2-[2-[5-[3-[(1S)-1-(dimethylamino)ethyl]phenyl]-4-phenyl-imidazol-1-yl]ethoxy]ethanol 2-[2-[5-[3-[(1S)-1-(dimethylamin…

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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 10.84 -43.4 2 5 1 52 380.512 9 ↓
Hi High (pH 8-9.5) 2.94 8.66 -9.8 1 5 0 51 379.504 9 ↓
Mid Mid (pH 6-8) 2.94 11.39 -80.34 3 5 2 53 381.52 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[5-[3-[(1R)-1-(dimethylamino)ethyl]phenyl]-4-phenyl-imidazol-1-yl]ethoxy]ethanol 2-[2-[5-[3-[(1R)-1-(dimethylamin…

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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 10.85 -44.63 2 5 1 52 380.512 9 ↓
Hi High (pH 8-9.5) 2.94 8.69 -9.75 1 5 0 51 379.504 9 ↓
Mid Mid (pH 6-8) 2.94 11.39 -80.57 3 5 2 53 381.52 9 ↓

Analogs

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Popular Name: 4-[3-(2-ethoxyethyl)-5-phenyl-imidazol-4-yl]-N-methyl-benzenesulfonamide 4-[3-(2-ethoxyethyl)-5-phenyl-im…

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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 7.62 -13.6 1 6 0 73 385.489 8 ↓
Mid Mid (pH 6-8) 2.77 8.23 -43.97 2 6 1 74 386.497 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-(2-fluoro-3-methoxy-phenyl)-5-phenyl-4H-imidazole (4R)-4-(2-fluoro-3-methoxy-pheny…

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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) 3.40 8.49 -14.03 1 3 0 38 268.291 3 ↓
Mid Mid (pH 6-8) 3.40 9 -38.62 2 3 1 39 269.299 3 ↓

Analogs

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Popular Name: 3-[5-(4-chloro-2-fluoro-phenyl)-4-phenyl-imidazol-1-yl]-N-methyl-propan-1-amine 3-[5-(4-chloro-2-fluoro-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) 4.17 12.08 -47.11 2 3 1 34 344.841 6 ↓
Mid Mid (pH 6-8) 4.17 12.61 -97.14 3 3 2 36 345.849 6 ↓

Analogs

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Popular Name: 2-[3-[(1S)-1-(methoxymethyl)propyl]-5-phenyl-imidazol-4-yl]benzonitrile 2-[3-[(1S)-1-(methoxymethyl)prop…

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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) 3.90 11.82 -11.9 0 4 0 51 331.419 6 ↓
Mid Mid (pH 6-8) 3.90 12.48 -33.93 1 4 1 52 332.427 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-[(1R)-1-(methoxymethyl)propyl]-5-phenyl-imidazol-4-yl]benzonitrile 2-[3-[(1R)-1-(methoxymethyl)prop…

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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) 3.90 12.07 -12.1 0 4 0 51 331.419 6 ↓
Mid Mid (pH 6-8) 3.90 12.74 -33.56 1 4 1 52 332.427 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4R)-5-phenyl-4H-imidazol-4-yl]benzoic 2-[(4R)-5-phenyl-4H-imidazol-4-y…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.80 9.29 -57.69 1 4 -1 69 263.276 3 ↓
Mid Mid (pH 6-8) 2.80 9.68 -48.26 2 4 0 70 264.284 3 ↓

Analogs

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Popular Name: 3-[3-[3-(dimethylamino)-2,2-dimethyl-propyl]-5-phenyl-imidazol-4-yl]phenol 3-[3-[3-(dimethylamino)-2,2-dime…

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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) 4.03 11.43 -93.57 3 4 2 44 351.494 6 ↓
Mid Mid (pH 6-8) 4.03 11.01 -46.97 2 4 1 42 350.486 6 ↓

Analogs

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Popular Name: 5-(4-fluoro-2-methoxy-phenyl)-1-(2-methylsulfonylethyl)-4-phenyl-imidazole 5-(4-fluoro-2-methoxy-phenyl)-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) 2.89 8.55 -17.85 0 5 0 61 374.437 6 ↓
Mid Mid (pH 6-8) 2.89 9.09 -45.65 1 5 1 62 375.445 6 ↓

Analogs

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Popular Name: (1S)-1-[3-[3-(2-fluoroethyl)-5-phenyl-imidazol-4-yl]phenyl]-N,N-dimethyl-ethanamine (1S)-1-[3-[3-(2-fluoroethyl)-5-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) 3.98 14.06 -44.08 1 3 1 22 338.45 6 ↓
Hi High (pH 8-9.5) 3.98 11.92 -7.54 0 3 0 21 337.442 6 ↓
Lo Low (pH 4.5-6) 3.98 14.62 -80.69 2 3 2 24 339.458 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[3-[3-(2-fluoroethyl)-5-phenyl-imidazol-4-yl]phenyl]-N,N-dimethyl-ethanamine (1R)-1-[3-[3-(2-fluoroethyl)-5-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) 3.98 14.06 -44.41 1 3 1 22 338.45 6 ↓
Hi High (pH 8-9.5) 3.98 11.81 -7.45 0 3 0 21 337.442 6 ↓
Lo Low (pH 4.5-6) 3.98 14.63 -81.28 2 3 2 24 339.458 6 ↓

Analogs

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Popular Name: 5-(2-fluoro-3-methoxy-phenyl)-1-(2-methylsulfonylethyl)-4-phenyl-imidazole 5-(2-fluoro-3-methoxy-phenyl)-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) 2.87 8.37 -19 0 5 0 61 374.437 6 ↓
Mid Mid (pH 6-8) 2.87 8.88 -44.85 1 5 1 62 375.445 6 ↓

Analogs

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Popular Name: (2S)-2-[5-(4-fluoro-3-methyl-phenyl)-4-phenyl-imidazol-1-yl]-N-methyl-butanamide (2S)-2-[5-(4-fluoro-3-methyl-phe…

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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) 3.85 10.39 -12.89 1 4 0 47 351.425 5 ↓
Mid Mid (pH 6-8) 3.85 11.56 -31.83 2 4 1 48 352.433 5 ↓

Analogs

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Popular Name: (2R)-2-[5-(4-fluoro-3-methyl-phenyl)-4-phenyl-imidazol-1-yl]-N-methyl-butanamide (2R)-2-[5-(4-fluoro-3-methyl-phe…

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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) 3.85 10.76 -13.08 1 4 0 47 351.425 5 ↓
Mid Mid (pH 6-8) 3.85 11.5 -31.66 2 4 1 48 352.433 5 ↓

Analogs

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Popular Name: (2S)-1-[5-(4-ethylphenyl)-4-phenyl-imidazol-1-yl]-3-methoxy-propan-2-ol (2S)-1-[5-(4-ethylphenyl)-4-phen…

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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) 3.59 9.62 -13.64 1 4 0 47 336.435 7 ↓
Mid Mid (pH 6-8) 3.59 10.17 -36.72 2 4 1 49 337.443 7 ↓

Analogs

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Popular Name: (2R)-1-[5-(4-ethylphenyl)-4-phenyl-imidazol-1-yl]-3-methoxy-propan-2-ol (2R)-1-[5-(4-ethylphenyl)-4-phen…

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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) 3.59 9.68 -12.39 1 4 0 47 336.435 7 ↓
Mid Mid (pH 6-8) 3.59 10.23 -36.18 2 4 1 49 337.443 7 ↓

Analogs

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Popular Name: 5-(4-methoxy-2-methyl-phenyl)-4-phenyl-1-prop-2-ynyl-imidazole 5-(4-methoxy-2-methyl-phenyl)-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) 3.93 11.66 -9.88 0 3 0 27 302.377 4 ↓
Mid Mid (pH 6-8) 3.93 12.17 -35.16 1 3 1 28 303.385 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[5-(2-methoxy-4-methyl-phenyl)-4-phenyl-imidazol-1-yl]ethyl]-2-methyl-propanamide N-[2-[5-(2-methoxy-4-methyl-phen…

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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) 4.00 11.45 -16.8 1 5 0 56 377.488 7 ↓
Mid Mid (pH 6-8) 4.00 11.99 -39.89 2 5 1 57 378.496 7 ↓

Analogs

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Popular Name: 2-methyl-4-[4-[(4R)-4-phenyl-4H-imidazol-5-yl]phenyl]but-3-yn-2-ol 2-methyl-4-[4-[(4R)-4-phenyl-4H-…

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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) 3.65 9.21 -9.97 2 3 0 49 302.377 2 ↓
Mid Mid (pH 6-8) 3.65 9.73 -40.02 3 3 1 50 303.385 2 ↓

Parameters Provided:

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

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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 = 88696 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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