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

7149299
7149299

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Popular Name: 2-[4-benzylidene-1-(4-fluorophenyl)-5-oxo-imidazol-2-yl]sulfanyl-N,N-dimethyl-propanamide 2-[4-benzylidene-1-(4-fluorophen…

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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 12.11 -13.27 0 5 0 55 397.475 5 ↓

Analogs

7149295
7149295

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Popular Name: 2-[4-benzylidene-1-(4-fluorophenyl)-5-oxo-imidazol-2-yl]sulfanyl-N,N-dimethyl-propanamide 2-[4-benzylidene-1-(4-fluorophen…

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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 12.13 -13.33 0 5 0 55 397.475 5 ↓

Analogs

8953079
8953079
8953085
8953085

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Popular Name: 2-[(4E)-1-(3-chloro-4-methoxy-phenyl)-5-oxo-4-(2-thienylmethylene)imidazol-2-yl]sulfanyl-N-prop-2-yn 2-[(4E)-1-(3-chloro-4-methoxy-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) 3.39 9.15 -14.56 1 6 0 73 445.953 7 ↓

Analogs

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Popular Name: (5Z)-3-(4-chloro-3-methoxy-phenyl)-5-[(4-methoxyphenyl)methylene]-2-[(1-propyltetrazol-5-yl)methylsu (5Z)-3-(4-chloro-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) 4.24 11.65 -16.66 0 9 0 97 498.996 9 ↓

Analogs

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Popular Name: 2-[(4Z)-4-[(4-chlorophenyl)methylene]-1-(2,3-dichlorophenyl)-5-oxo-imidazol-2-yl]sulfanyl-N-prop-2-y 2-[(4Z)-4-[(4-chlorophenyl)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) 4.77 12.62 -14.39 1 5 0 64 478.788 6 ↓

Analogs

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Popular Name: 2-[(4Z)-4-[(4-isopropylphenyl)methylene]-5-oxo-1-(p-tolyl)imidazol-2-yl]sulfanyl-N-prop-2-ynyl-aceta 2-[(4Z)-4-[(4-isopropylphenyl)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) 4.58 13.41 -13.54 1 5 0 64 431.561 7 ↓

Analogs

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Popular Name: 2-[(4Z)-4-benzylidene-1-(4-fluorophenyl)-5-oxo-imidazol-2-yl]sulfanyl-N-[(2-fluorophenyl)methyl]-N-m 2-[(4Z)-4-benzylidene-1-(4-fluor…

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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) 4.38 15.49 -16.72 0 5 0 55 477.536 7 ↓

Analogs

9501520
9501520

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Popular Name: (5Z)-2-butylsulfanyl-3-[4-(difluoromethoxy)phenyl]-5-[(4-methoxyphenyl)methylene]imidazol-4-one (5Z)-2-butylsulfanyl-3-[4-(diflu…

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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) 5.46 12.32 -12.4 0 5 0 53 432.492 9 ↓

Analogs

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Popular Name: 2-[(4Z)-1-[4-(difluoromethoxy)phenyl]-4-[(4-methoxyphenyl)methylene]-5-oxo-imidazol-2-yl]sulfanyl-N- 2-[(4Z)-1-[4-(difluoromethoxy)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) 3.29 9.7 -16.4 1 7 0 82 471.485 9 ↓

Analogs

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Popular Name: 2-[[(4Z)-1-benzyl-4-[(4-methoxyphenyl)methylene]-5-oxo-imidazol-2-yl]sulfanylmethyl]pyrido[2,1-b]pyr 2-[[(4Z)-1-benzyl-4-[(4-methoxyp…

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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 14.52 -19.29 0 7 0 79 482.565 7 ↓

Analogs

35989311
35989311

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Popular Name: (2S)-2-[4-[(Z)-(5-oxo-2-thioxo-imidazolidin-4-ylidene)methyl]phenoxy]propanoic (2S)-2-[4-[(Z)-(5-oxo-2-thioxo-i…

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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) 1.47 6.46 -90.9 1 6 -2 95 290.3 4 ↓

Analogs

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Popular Name: 2-chloro-5-[[(4Z)-4-[(4-methylsulfanylphenyl)methylene]-5-oxo-imidazol-1-yl]sulfamoyl]benzoic 2-chloro-5-[[(4Z)-4-[(4-methylsu…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
LEF-1-B Anthrax Lethal Factor (cluster #1 Of 2), Bacterial Bacteria 4700 0.26 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
LEF_BACAN P15917 Anthrax Lethal Factor, Bacan 2500 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) 2.44 9.05 -51.52 1 8 -1 121 450.905 6 ↓
Mid Mid (pH 6-8) 2.44 8.9 -106.76 0 8 -2 123 449.897 6 ↓

Analogs

20891672
20891672

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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) 4.88 13.26 -12.93 0 6 0 70 424.522 7 ↓

Analogs

20891668
20891668

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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) 4.88 13.52 -12.62 0 6 0 70 424.522 7 ↓

Analogs

12036261
12036261

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Popular Name: 2-[4-benzylidene-1-(4-fluorophenyl)-5-oxo-imidazol-2-yl]sulfanyl-N-(phenylcarbamoyl)propanamide 2-[4-benzylidene-1-(4-fluorophen…

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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) 4.33 0.69 -22.59 2 7 0 93 488.544 6 ↓

Analogs

12036256
12036256

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Popular Name: 2-[4-benzylidene-1-(4-fluorophenyl)-5-oxo-imidazol-2-yl]sulfanyl-N-(phenylcarbamoyl)propanamide 2-[4-benzylidene-1-(4-fluorophen…

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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) 4.33 0.74 -22.38 2 7 0 93 488.544 6 ↓

Analogs

12036329
12036329

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Popular Name: 2-[4-benzylidene-1-(4-fluorophenyl)-5-oxo-imidazol-2-yl]sulfanyl-N-[1-(4-fluorophenyl)ethyl]-N-methy 2-[4-benzylidene-1-(4-fluorophen…

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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) 4.99 3.46 -15.17 0 5 0 55 491.563 7 ↓

Analogs

12036326
12036326

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Popular Name: 2-[4-benzylidene-1-(4-fluorophenyl)-5-oxo-imidazol-2-yl]sulfanyl-N-[1-(4-fluorophenyl)ethyl]-N-methy 2-[4-benzylidene-1-(4-fluorophen…

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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) 4.99 3.47 -15.01 0 5 0 55 491.563 7 ↓

Analogs

36214042
36214042

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Popular Name: (2S)-2-[(4Z)-4-[(4-chlorophenyl)methylene]-1-(2,3-dichlorophenyl)-5-oxo-imidazol-2-yl]sulfanyl-N-cyc (2S)-2-[(4Z)-4-[(4-chlorophenyl)…

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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) 5.34 13.78 -13.92 1 5 0 64 494.831 6 ↓

Analogs

36214038
36214038

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Popular Name: (2R)-2-[(4Z)-4-[(4-chlorophenyl)methylene]-1-(2,3-dichlorophenyl)-5-oxo-imidazol-2-yl]sulfanyl-N-cyc (2R)-2-[(4Z)-4-[(4-chlorophenyl)…

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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) 5.34 13.7 -14.2 1 5 0 64 494.831 6 ↓

Analogs

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Popular Name: (E)-3-amino-2-[2-[(4Z)-4-[(4-isopropylphenyl)methylene]-5-oxo-1-(p-tolyl)imidazol-2-yl]sulfanylacety (E)-3-amino-2-[2-[(4Z)-4-[(4-iso…

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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) 4.62 14.02 -15.69 2 6 0 102 458.587 7 ↓

Analogs

8863645
8863645

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Popular Name: (2S)-2-(4-chlorophenyl)-3-methyl-N-[(4Z)-5-oxo-2-phenyl-4-(2-pyridylmethylene)imidazol-1-yl]butanami (2S)-2-(4-chlorophenyl)-3-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) 5.06 14.07 -21.77 1 6 0 77 458.949 6 ↓
Hi High (pH 8-9.5) 5.24 12.37 -61.59 0 6 -1 83 457.941 6 ↓

Analogs

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Popular Name: (5Z)-3-[2-(1H-benzimidazol-2-yl)ethyl]-5-[(4-isopropoxyphenyl)methylene]-2-phenyl-imidazol-4-one (5Z)-3-[2-(1H-benzimidazol-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) 5.47 0.08 -15.52 1 6 0 73 450.542 7 ↓

Analogs

2626611
2626611
9714825
9714825

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Popular Name: 2-[(4Z)-4-benzylidene-1-(4-fluorophenyl)-5-oxo-imidazol-2-yl]sulfanyl-N-[(3S)-1,1-dioxothiolan-3-yl] 2-[(4Z)-4-benzylidene-1-(4-fluor…

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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) 2.39 10.27 -22.59 0 7 0 89 487.578 6 ↓

Analogs

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Popular Name: (5E)-5-benzylidene-3-(4-fluorophenyl)-2-(3-pyridylmethylsulfanyl)imidazol-4-one (5E)-5-benzylidene-3-(4-fluoroph…

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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) 3.88 12.54 -10.51 0 4 0 48 389.455 5 ↓
Lo Low (pH 4.5-6) 3.88 12.82 -43.23 1 4 1 49 390.463 5 ↓

Analogs

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Popular Name: (5E)-5-benzylidene-3-(4-fluorophenyl)-2-(2-morpholinoethylsulfanyl)imidazol-4-one (5E)-5-benzylidene-3-(4-fluoroph…

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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) 3.39 9.82 -9.54 0 5 0 47 411.502 6 ↓
Mid Mid (pH 6-8) 3.39 12.17 -48.26 1 5 1 49 412.51 6 ↓

Analogs

12539425
12539425
2642199
2642199
2642205
2642205

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Popular Name: (5Z)-3-[4-(difluoromethoxy)phenyl]-5-(2-furylmethylene)-2-[(1R)-2-indolin-1-yl-1-methyl-2-oxo-ethyl] (5Z)-3-[4-(difluoromethoxy)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) 4.63 13.51 -20.58 0 7 0 78 509.534 7 ↓

Analogs

12539423
12539423
2642199
2642199

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Popular Name: (5Z)-3-[4-(difluoromethoxy)phenyl]-5-(2-furylmethylene)-2-[(1S)-2-indolin-1-yl-1-methyl-2-oxo-ethyl] (5Z)-3-[4-(difluoromethoxy)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) 4.63 13.58 -20.72 0 7 0 78 509.534 7 ↓

Analogs

8953068
8953068
8953085
8953085
8953137
8953137

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Popular Name: 2-[(4Z)-1-(3-chloro-4-methoxy-phenyl)-5-oxo-4-(2-thienylmethylene)imidazol-2-yl]sulfanyl-N-(4-methox 2-[(4Z)-1-(3-chloro-4-methoxy-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) 4.99 11.13 -17.92 1 7 0 82 514.028 8 ↓

Analogs

13010531
13010531

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Popular Name: (2R)-2-[(4Z)-1-(3-chloro-4-methoxy-phenyl)-4-(2-furylmethylene)-5-oxo-imidazol-2-yl]sulfanyl-N-propy (2R)-2-[(4Z)-1-(3-chloro-4-metho…

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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) 3.83 9.65 -16.48 1 7 0 86 447.944 8 ↓

Analogs

13010529
13010529

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Popular Name: (2S)-2-[(4Z)-1-(3-chloro-4-methoxy-phenyl)-4-(2-furylmethylene)-5-oxo-imidazol-2-yl]sulfanyl-N-propy (2S)-2-[(4Z)-1-(3-chloro-4-metho…

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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) 3.83 9.64 -16.9 1 7 0 86 447.944 8 ↓

Analogs

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Popular Name: 2-[(4Z)-4-benzylidene-1-(4-fluorophenyl)-5-oxo-imidazol-2-yl]sulfanyl-N-(2-furylmethyl)-N-methyl-ace 2-[(4Z)-4-benzylidene-1-(4-fluor…

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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) 3.52 13.65 -14.75 0 6 0 68 449.507 7 ↓

Analogs

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Popular Name: (5Z)-2-(3-hydroxypropylsulfanyl)-3-(3-methoxyphenyl)-5-[(4-methoxyphenyl)methylene]imidazol-4-one (5Z)-2-(3-hydroxypropylsulfanyl)…

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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) 3.29 7.94 -14.77 1 6 0 74 398.484 8 ↓

Analogs

16916822
16916822

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Popular Name: (5Z)-2-[(4-chlorophenyl)methylsulfanyl]-3-(m-tolyl)-5-(p-tolylmethylene)imidazol-4-one (5Z)-2-[(4-chlorophenyl)methylsu…

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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) 6.71 16.72 -10.54 0 3 0 35 432.976 5 ↓

Analogs

16916822
16916822

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Popular Name: (5Z)-3-(2-chlorophenyl)-5-[(4-chlorophenyl)methylene]-2-[(4-chlorophenyl)methylsulfanyl]imidazol-4-o (5Z)-3-(2-chlorophenyl)-5-[(4-ch…

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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) 7.15 16.8 -10.63 0 3 0 35 473.812 5 ↓

Analogs

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Popular Name: (5E)-3-(2-ethylphenyl)-2-[(4-fluorophenyl)methylsulfanyl]-5-(p-tolylmethylene)imidazol-4-one (5E)-3-(2-ethylphenyl)-2-[(4-flu…

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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) 6.64 16.25 -11.15 0 3 0 35 430.548 6 ↓

Analogs

9169230
9169230

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Popular Name: (5Z)-3-(2-chlorophenyl)-2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanyl-5-(p-tolylmethylene)imidazol-4-one (5Z)-3-(2-chlorophenyl)-2-(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) 4.40 14.2 -15.82 0 5 0 55 439.968 5 ↓

Analogs

16916822
16916822

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Popular Name: (5Z)-3-(4-chlorophenyl)-2-[(4-chlorophenyl)methylsulfanyl]-5-[(4-fluorophenyl)methylene]imidazol-4-o (5Z)-3-(4-chlorophenyl)-2-[(4-ch…

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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) 6.47 16.05 -8.96 0 3 0 35 457.357 5 ↓

Analogs

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Popular Name: (5Z)-2-[(4-fluorophenyl)methylsulfanyl]-5-(p-tolylmethylene)-3-[4-(trifluoromethoxy)phenyl]imidazol- (5Z)-2-[(4-fluorophenyl)methylsu…

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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) 6.53 15.45 -9.19 0 4 0 44 486.49 7 ↓

Analogs

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Popular Name: (5Z)-3-(3,5-dimethylphenyl)-2-[(4-fluorophenyl)methylsulfanyl]-5-[(4-methoxyphenyl)methylene]imidazo (5Z)-3-(3,5-dimethylphenyl)-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) 6.42 15.65 -12.05 0 4 0 44 446.547 6 ↓

Analogs

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Popular Name: (5E)-2-[(4-chlorophenyl)methylsulfanyl]-5-[(4-fluorophenyl)methylene]-3-(o-tolyl)imidazol-4-one (5E)-2-[(4-chlorophenyl)methylsu…

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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) 6.40 15.81 -10.62 0 3 0 35 436.939 5 ↓

Analogs

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Popular Name: (5E)-5-[(4-chlorophenyl)methylene]-2-[(4-chlorophenyl)methylsulfanyl]-3-(2,4-dimethylphenyl)imidazol (5E)-5-[(4-chlorophenyl)methylen…

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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) 7.34 16.93 -9.83 0 3 0 35 467.421 5 ↓

Analogs

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Popular Name: (5Z)-5-(p-tolylmethylene)-2-(p-tolylmethylsulfanyl)-3-[4-(trifluoromethoxy)phenyl]imidazol-4-one (5Z)-5-(p-tolylmethylene)-2-(p-t…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 6.82 16.06 -8.16 0 4 0 44 482.527 7 ↓

Analogs

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Popular Name: (5Z)-5-[(4-chlorophenyl)methylene]-3-cyclohexyl-2-[(4-fluorophenyl)methylsulfanyl]imidazol-4-one (5Z)-5-[(4-chlorophenyl)methylen…

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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) 6.42 15.49 -8.43 0 3 0 35 428.96 5 ↓

Analogs

13128368
13128368
13128369
13128369

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Popular Name: (5E)-3-(5-chloro-2-methoxy-phenyl)-2-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxo-ethyl]sulfanyl-5- (5E)-3-(5-chloro-2-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) 4.64 11.83 -15.62 0 7 0 74 520.076 6 ↓

Analogs

13128369
13128369
13128367
13128367

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Popular Name: (5E)-3-(5-chloro-2-methoxy-phenyl)-2-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxo-ethyl]sulfanyl-5- (5E)-3-(5-chloro-2-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) 4.64 11.8 -15.4 0 7 0 74 520.076 6 ↓

Analogs

13128367
13128367
13128368
13128368

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Popular Name: (5E)-3-(5-chloro-2-methoxy-phenyl)-2-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxo-ethyl]sulfanyl-5- (5E)-3-(5-chloro-2-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) 4.64 11.65 -15.5 0 7 0 74 520.076 6 ↓

Analogs

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Popular Name: 2-[(4E)-1-(3-chloro-4-methoxy-phenyl)-5-oxo-4-(2-thienylmethylene)imidazol-2-yl]sulfanyl-N-(3-isopro 2-[(4E)-1-(3-chloro-4-methoxy-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) 4.82 11.42 -20.61 1 8 0 99 517.032 8 ↓

Analogs

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Popular Name: 2-[[(4Z)-1-(4-chloro-3-methoxy-phenyl)-4-[(4-methoxyphenyl)methylene]-5-oxo-imidazol-2-yl]sulfanylme 2-[[(4Z)-1-(4-chloro-3-methoxy-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) 4.64 11.77 -57.5 0 8 -1 107 497.936 8 ↓

Analogs

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Popular Name: 2-[[(4E)-1-(3-chloro-4-methoxy-phenyl)-5-oxo-4-(2-thienylmethylene)imidazol-2-yl]sulfanylmethyl]fura 2-[[(4E)-1-(3-chloro-4-methoxy-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) 4.48 10.97 -55.67 0 7 -1 97 473.939 7 ↓

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