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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) | 1.89 | 4.14 | -11.24 | 3 | 3 | 0 | 55 | 167.599 | 0 | ↓ |  | 
 
            
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            | 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) | 2.50 | 2.41 | -7.69 | 0 | 2 | 0 | 18 | 200.163 | 1 | ↓ |  | 
 
            
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            | 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) | 2.69 | 5.13 | -7.53 | 1 | 2 | 0 | 29 | 187.029 | 0 | ↓ |  | 
 
            
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            | 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) | 1.23 | 4.15 | -27.68 | 4 | 3 | 1 | 56 | 134.162 | 0 | ↓ |  | 
 
            
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            | 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) | 1.43 | 4.16 | -8.41 | 1 | 2 | 0 | 29 | 118.139 | 0 | ↓ |  | 
 
            
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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) | 1.52 | 3.99 | -8.65 | 1 | 2 | 0 | 29 | 132.166 | 0 | ↓ |  | 
 
            
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        Clustered Target Annotations
        
        
            | Code | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |  
            | Z50422-3-O | Entamoeba Histolytica (cluster #3 Of 5), Other | Other | 7640 | 0.40 | 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) | 3.12 | 6.79 | -14.26 | 3 | 4 | 0 | 54 | 260.366 | 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) | 3.08 | 4.81 | -5.82 | 1 | 2 | 0 | 29 | 220.581 | 1 | ↓ |  
            | Ref
                Reference (pH 7) | 3.08 | 4.8 | -4.59 | 1 | 2 | 0 | 29 | 220.581 | 1 | ↓ |  
            | Hi
                High (pH 8-9.5) | 3.08 | 4.38 | -30.99 | 0 | 2 | -1 | 27 | 219.573 | 1 | ↓ |  | 
 
            
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            | 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) | 2.43 | 4.29 | -6.54 | 1 | 2 | 0 | 29 | 186.136 | 1 | ↓ |  | 
 
            
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 Physical Representations
    
        
            | Type
                pH range | xlogP | Des A‑Pol
                Apolar desolvation
                (kcal/mol) | Des Pol
                Polar desolvation
                (kcal/mol) | H Don
                H-bond donors | H Acc
                H-bond acceptors | Chg
                Net charge | tPSA 
                (Ų) | MWT
                Molecular weight
                (g/mol) | RB
                Rotatable bonds | DL |  
            | Ref
                Reference (pH 7) | 3.69 | 5.24 | -6.23 | 1 | 2 | 0 | 29 | 255.026 | 1 | ↓ |  | 
 
            
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Identity
99%
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70%
 VendorsPhysical 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) | 3.61 | -1.66 | -4.94 | 1 | 2 | 0 | 28 | 233.123 | 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) | 2.07 | 4.67 | -10.85 | 2 | 2 | 0 | 32 | 184.651 | 0 | ↓ |  | 
 
            
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            | Type
                pH range | xlogP | Des A‑Pol
                Apolar desolvation
                (kcal/mol) | Des Pol
                Polar desolvation
                (kcal/mol) | H Don
                H-bond donors | H Acc
                H-bond acceptors | Chg
                Net charge | tPSA 
                (Ų) | MWT
                Molecular weight
                (g/mol) | RB
                Rotatable bonds | DL |  
            | Ref
                Reference (pH 7) | 2.08 | 4.66 | -8.26 | 1 | 2 | 0 | 29 | 152.584 | 0 | ↓ |  
            | Lo
                Low (pH 4.5-6) | 2.08 | 5.14 | -36.66 | 2 | 2 | 1 | 30 | 153.592 | 0 | ↓ |  | 
 
            
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            | 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) | 1.42 | 4.15 | -12.2 | 2 | 2 | 0 | 32 | 150.206 | 0 | ↓ |  | 
 
            
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            | Type
                pH range | xlogP | Des A‑Pol
                Apolar desolvation
                (kcal/mol) | Des Pol
                Polar desolvation
                (kcal/mol) | H Don
                H-bond donors | H Acc
                H-bond acceptors | Chg
                Net charge | tPSA 
                (Ų) | MWT
                Molecular weight
                (g/mol) | RB
                Rotatable bonds | DL |  
            | Ref
                Reference (pH 7) | 1.63 | 2.81 | -9.9 | 2 | 5 | 0 | 70 | 191.19 | 1 | ↓ |  | 
 
            
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            | Type
                pH range | xlogP | Des A‑Pol
                Apolar desolvation
                (kcal/mol) | Des Pol
                Polar desolvation
                (kcal/mol) | H Don
                H-bond donors | H Acc
                H-bond acceptors | Chg
                Net charge | tPSA 
                (Ų) | MWT
                Molecular weight
                (g/mol) | RB
                Rotatable bonds | DL |  
            | Ref
                Reference (pH 7) | 2.68 | -3.21 | -9.77 | 2 | 2 | 0 | 32 | 219.096 | 0 | ↓ |  | 
 
            
        |  | 
Analogs
        
        
            26286725        
    
          
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 VendorsPhysical Representations
    
        
            | Type
                pH range | xlogP | Des A‑Pol
                Apolar desolvation
                (kcal/mol) | Des Pol
                Polar desolvation
                (kcal/mol) | H Don
                H-bond donors | H Acc
                H-bond acceptors | Chg
                Net charge | tPSA 
                (Ų) | MWT
                Molecular weight
                (g/mol) | RB
                Rotatable bonds | DL |  
            | Ref
                Reference (pH 7) | 2.72 | 5.1 | -5.23 | 2 | 5 | 0 | 67 | 260.08 | 2 | ↓ |  | 
 
            
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            | Type
                pH range | xlogP | Des A‑Pol
                Apolar desolvation
                (kcal/mol) | Des Pol
                Polar desolvation
                (kcal/mol) | H Don
                H-bond donors | H Acc
                H-bond acceptors | Chg
                Net charge | tPSA 
                (Ų) | MWT
                Molecular weight
                (g/mol) | RB
                Rotatable bonds | DL |  
            | Ref
                Reference (pH 7) | 2.78 | -1.08 | -7.16 | 1 | 2 | 0 | 29 | 201.056 | 0 | ↓ |  | 
 
            
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Analogs
        
        
            13284903        
    
          
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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) | 2.29 | 3.3 | -9.14 | 2 | 5 | 0 | 70 | 225.635 | 1 | ↓ |  
            | Mid
                Mid (pH 6-8) | 2.29 | 3.31 | -8.18 | 2 | 5 | 0 | 70 | 225.635 | 1 | ↓ |  | 
 
            
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            | 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 | 4.65 | -7.42 | 3 | 3 | 0 | 55 | 202.044 | 0 | ↓ |  | 
 
            
        |  | 
Analogs
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Identity
99%
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70%
 VendorsPhysical 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) | 3.00 | 4.9 | -6.15 | 1 | 2 | 0 | 29 | 198.678 | 1 | ↓ |  
            | Lo
                Low (pH 4.5-6) | 3.00 | 5.26 | -26.82 | 2 | 2 | 1 | 30 | 199.686 | 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) | 2.17 | 4.51 | -7.88 | 1 | 2 | 0 | 29 | 166.611 | 0 | ↓ |  | 
 
            
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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) | 2.35 | -1.38 | -6.89 | 1 | 2 | 0 | 29 | 164.233 | 1 | ↓ |  | 
 
            
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Analogs
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Identity
99%
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70%
 VendorsPhysical 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) | 8.49 | 15.51 | -129.88 | 5 | 8 | 3 | 78 | 686.708 | 12 | ↓ |  
            | Hi
                High (pH 8-9.5) | 8.49 | 12.84 | -32.97 | 3 | 8 | 1 | 76 | 684.692 | 12 | ↓ |  |