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    • Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
    UCSF
    ZINC Item Suppliers, Protomers, & Similar Substances

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: PCA-4248 PCA-4248

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    PTAFR-1-E Platelet Activating Factor Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 15 0.44 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) 4.37 11.08 -11.14 1 5 0 65 361.463 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: PCA-4248 PCA-4248

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    And 7 More

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    PTAFR-1-E Platelet Activating Factor Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 15 0.44 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) 4.37 11.08 -11.88 1 5 0 65 361.463 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: PegCNTF PegCNTF

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    HRH1-1-E Histamine H1 Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 100 0.39 Binding ≤ 10μM
    PTAFR-2-E Platelet Activating Factor Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 840 0.34 Binding ≤ 10μM
    PTAFR-1-E Platelet Activating Factor Receptor (cluster #1 Of 3), Eukaryotic Eukaryotes 610 0.35 Functional ≤ 10μM
    Z50512-1-O Cavia Porcellus (cluster #1 Of 7), Other Other 100 0.39 Functional ≤ 10μM
    Z50587-1-O Homo Sapiens (cluster #1 Of 9), Other Other 610 0.35 Functional ≤ 10μM
    Z50592-3-O Oryctolagus Cuniculus (cluster #3 Of 8), Other Other 840 0.34 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) 3.49 0.71 -10.43 0 3 0 33 352.865 0 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: MK-287 MK-287

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    PTAFR-2-E Platelet Activating Factor Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 6 0.33 Binding ≤ 10μM
    PTAFR-2-E Platelet Activating Factor Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 59 0.29 Binding ≤ 10μM
    PTAFR-1-E Platelet Activating Factor Receptor (cluster #1 Of 3), Eukaryotic Eukaryotes 14 0.31 Functional ≤ 10μM
    Z50587-1-O Homo Sapiens (cluster #1 Of 9), Other Other 56 0.29 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) 2.82 -3.66 -17.93 1 9 0 109 510.605 12 ↓

    Analogs

    4098925
    4098925
    17836230
    17836230
    18269677
    18269677
    29555312
    29555312
    31167723
    31167723

    Draw Identity 99% 90% 80% 70%

    Popular Name: DNC003599 DNC003599

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    PTAFR-2-E Platelet Activating Factor Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 1000 0.31 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) 4.11 8.59 -10.96 0 5 0 46 372.461 6 ↓

    Analogs

    27709020
    27709020
    33902550
    33902550
    596872
    596872

    Draw Identity 99% 90% 80% 70%

    Popular Name: [4-(3-phenylpropyl)piperazin-1-yl]-[(2S,4R)-2-(3-pyridyl)thiazolidin-4-yl]methanone [4-(3-phenylpropyl)piperazin-1-y…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    PTAFR-2-E Platelet Activating Factor Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 2 0.43 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) 2.37 8.5 -42.09 2 5 1 53 397.568 6 ↓
    Mid Mid (pH 6-8) 2.37 7.4 -12.34 1 5 0 48 396.56 6 ↓
    Mid Mid (pH 6-8) 2.37 9.6 -56.83 2 5 1 50 397.568 6 ↓

    Analogs

    33902550
    33902550
    596872
    596872
    27709016
    27709016

    Draw Identity 99% 90% 80% 70%

    Popular Name: [4-(3-phenylpropyl)piperazin-1-yl]-[(2R,4R)-2-(3-pyridyl)thiazolidin-4-yl]methanone [4-(3-phenylpropyl)piperazin-1-y…

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    Vendors

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    PTAFR-2-E Platelet Activating Factor Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 2 0.43 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) 2.37 8.43 -44.79 2 5 1 53 397.568 6 ↓
    Mid Mid (pH 6-8) 2.37 7.51 -13.14 1 5 0 48 396.56 6 ↓
    Mid Mid (pH 6-8) 2.37 9.93 -55.28 2 5 1 50 397.568 6 ↓

    Analogs

    14243647
    14243647

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(N-Acetyl-N-(2-methoxy-3-octadecylcarbamoyloxypropoxycarbonyl)aminomethyl)-1-ethylpyridinium; CV 6209; CV 6209 Chloride; LS-184309; Pyridinium, 2-(2-acetyl-6-methoxy-3,9-dioxo-4,8-dioxa-2,10-diazaoctacos-1-yl)-1-ethyl-, chloride 2-(N-Acetyl-N-(2-methoxy-3-octad…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    PTAFR-2-E Platelet Activating Factor Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 7 0.27 Binding ≤ 10μM
    PTAFR-1-E Platelet Activating Factor Receptor (cluster #1 Of 3), Eukaryotic Eukaryotes 75 0.23 Functional ≤ 10μM
    Z50512-1-O Cavia Porcellus (cluster #1 Of 7), Other Other 55 0.24 Functional ≤ 10μM
    Z50592-3-O Oryctolagus Cuniculus (cluster #3 Of 8), Other Other 12 0.26 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) 4.69 18.67 -37.1 1 9 1 98 606.869 27 ↓

    Analogs

    14243646
    14243646

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(N-Acetyl-N-(2-methoxy-3-octadecylcarbamoyloxypropoxycarbonyl)aminomethyl)-1-ethylpyridinium; CV 6209; CV 6209 Chloride; LS-184309; Pyridinium, 2-(2-acetyl-6-methoxy-3,9-dioxo-4,8-dioxa-2,10-diazaoctacos-1-yl)-1-ethyl-, chloride 2-(N-Acetyl-N-(2-methoxy-3-octad…

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    Vendors

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    PTAFR-2-E Platelet Activating Factor Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 7 0.27 Binding ≤ 10μM
    PTAFR-1-E Platelet Activating Factor Receptor (cluster #1 Of 3), Eukaryotic Eukaryotes 75 0.23 Functional ≤ 10μM
    PTAFR-1-E Platelet Activating Factor Receptor (cluster #1 Of 3), Eukaryotic Eukaryotes 91 0.23 Functional ≤ 10μM
    Z50512-1-O Cavia Porcellus (cluster #1 Of 7), Other Other 55 0.24 Functional ≤ 10μM
    Z50592-3-O Oryctolagus Cuniculus (cluster #3 Of 8), Other Other 12 0.26 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) 4.69 18.64 -35.54 1 9 1 98 606.869 27 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: Apafant Apafant

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    And 6 More

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    PTAFR-2-E Platelet Activating Factor Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 98 0.32 Binding ≤ 10μM
    PTAFR-1-E Platelet Activating Factor Receptor (cluster #1 Of 3), Eukaryotic Eukaryotes 98 0.32 Functional ≤ 10μM
    Z50587-1-O Homo Sapiens (cluster #1 Of 9), Other Other 40 0.33 Functional ≤ 10μM
    Z50592-3-O Oryctolagus Cuniculus (cluster #3 Of 8), Other Other 91 0.32 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) 2.12 9.62 -18 0 7 0 73 455.971 4 ↓
    Mid Mid (pH 6-8) 2.12 10.55 -40.91 1 7 1 74 456.979 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-Pyridinecarboxylic acid, 4-(2-chlorophenyl)-1,4-dihydro-6-methyl-2-(4-(2-methyl-1H-imidazo(4,5-c)pyridin-1-yl)phenyl)-5-((2-pyridinylamino)carbonyl)-, ethyl ester; 4-(2-chlorophenyl)-6-methyl-2-(4-(2-methylimidazo(4,5-c)pyrid-1-yl)phenyl)-5-(2-pyridinyl 3-Pyridinecarboxylic acid, 4-(2-…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    CAC1D-1-E Voltage-gated L-type Calcium Channel Alpha-1D Subunit (cluster #1 Of 2), Eukaryotic Eukaryotes 6800 0.16 Binding ≤ 10μM
    PTAFR-2-E Platelet Activating Factor Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 5 0.26 Binding ≤ 10μM
    PTAFR-1-E Platelet Activating Factor Receptor (cluster #1 Of 3), Eukaryotic Eukaryotes 7 0.26 Functional ≤ 10μM
    Z50588-2-O Canis Familiaris (cluster #2 Of 7), Other Other 6600 0.16 Functional ≤ 10μM
    Z50592-3-O Oryctolagus Cuniculus (cluster #3 Of 8), Other Other 29 0.24 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) 4.88 16.7 -28.15 2 9 0 111 605.098 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: INN) INN)

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    Vendors

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    CAC1D-1-E Voltage-gated L-type Calcium Channel Alpha-1D Subunit (cluster #1 Of 2), Eukaryotic Eukaryotes 6800 0.16 Binding ≤ 10μM
    PTAFR-2-E Platelet Activating Factor Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 5 0.26 Binding ≤ 10μM
    PTAFR-1-E Platelet Activating Factor Receptor (cluster #1 Of 3), Eukaryotic Eukaryotes 7 0.26 Functional ≤ 10μM
    Z50588-2-O Canis Familiaris (cluster #2 Of 7), Other Other 6600 0.16 Functional ≤ 10μM
    Z50592-3-O Oryctolagus Cuniculus (cluster #3 Of 8), Other Other 29 0.24 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) 4.88 16.55 -28.49 2 9 0 111 605.098 8 ↓

    Analogs

    14727696
    14727696
    31167728
    31167728
    33832943
    33832943
    35458905
    35458905
    35458907
    35458907

    Draw Identity 99% 90% 80% 70%

    Popular Name: BRD-K12466543-001-01-6 BRD-K12466543-001-01-6

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    Vendors

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    PTAFR-2-E Platelet Activating Factor Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 1100 0.31 Binding ≤ 10μM
    PTAFR-2-E Platelet Activating Factor Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 4500 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) 4.11 8.4 -11.09 0 5 0 46 372.461 6 ↓

    Analogs

    1532042
    1532042

    Draw Identity 99% 90% 80% 70%

    Popular Name: (+)-Veraguensin; 19950-55-1; C10892 (+)-Veraguensin; 19950-55-1; C10892

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    PTAFR-2-E Platelet Activating Factor Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 1100 0.31 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) 4.11 8.54 -11 0 5 0 46 372.461 6 ↓

    Analogs

    8195613
    8195613

    Draw Identity 99% 90% 80% 70%

    Popular Name: CV-3988 CV-3988

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    Vendors

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    PTAFR-1-E Platelet Activating Factor Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 600 0.22 Binding ≤ 10μM
    PTAFR-2-E Platelet Activating Factor Receptor (cluster #2 Of 3), Eukaryotic Eukaryotes 7800 0.18 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) 4.52 16.47 -52.88 1 9 0 110 592.78 28 ↓

    Analogs

    8034876
    8034876

    Draw Identity 99% 90% 80% 70%

    Popular Name: CV-3988 CV-3988

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    Vendors

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    PTAFR-1-E Platelet Activating Factor Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 600 0.22 Binding ≤ 10μM
    PTAFR-2-E Platelet Activating Factor Receptor (cluster #2 Of 3), Eukaryotic Eukaryotes 7800 0.18 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) 4.52 16.48 -53.33 1 9 0 110 592.78 28 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: CV-3988 CV-3988

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    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    PTAFR-1-E Platelet Activating Factor Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 600 0.22 Binding ≤ 10μM
    PTAFR-2-E Platelet Activating Factor Receptor (cluster #2 Of 3), Eukaryotic Eukaryotes 7800 0.18 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

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: CV-3988 CV-3988

    Find On: PubMed — Wikipedia — Google

    Vendors

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    PTAFR-1-E Platelet Activating Factor Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 600 0.22 Binding ≤ 10μM
    PTAFR-2-E Platelet Activating Factor Receptor (cluster #2 Of 3), Eukaryotic Eukaryotes 7800 0.18 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

    Analogs

    6468453
    6468453
    6469313
    6469313
    14952524
    14952524
    4098757
    4098757
    899936
    899936

    Draw Identity 99% 90% 80% 70%

    Popular Name: 95851-37-9; C10638; Kadsurenone 95851-37-9; C10638; Kadsurenone

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    Vendors

      None

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    PTAFR-2-E Platelet Activating Factor Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 150 0.37 Binding ≤ 10μM
    PTAFR-2-E Platelet Activating Factor Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 240 0.36 Binding ≤ 10μM
    PTAFR-1-E Platelet Activating Factor Receptor (cluster #1 Of 3), Eukaryotic Eukaryotes 3300 0.30 Functional ≤ 10μM
    Z50592-3-O Oryctolagus Cuniculus (cluster #3 Of 8), Other Other 58 0.39 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) 3.40 2.45 -11.59 0 5 0 54 356.418 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 8-[(1S)-4-(4-fluorophenyl)-1-methyl-butyl]-5,5-dimethyl-2-prop-2-ynyl-3,4-dihydro-1H-chromeno[4,3-c] 8-[(1S)-4-(4-fluorophenyl)-1-met…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    PTAFR-2-E Platelet Activating Factor Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 3250 0.24 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) 6.73 12.23 -10.38 1 3 0 33 433.567 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 8-[(1R)-4-(4-fluorophenyl)-1-methyl-butyl]-5,5-dimethyl-2-prop-2-ynyl-3,4-dihydro-1H-chromeno[4,3-c] 8-[(1R)-4-(4-fluorophenyl)-1-met…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    PTAFR-2-E Platelet Activating Factor Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 3250 0.24 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) 6.73 11.95 -9.65 1 3 0 33 433.567 6 ↓

    Analogs

    4098814
    4098814
    6468453
    6468453
    6469313
    6469313
    14952524
    14952524
    899936
    899936

    Draw Identity 99% 90% 80% 70%

    Popular Name: 87402-88-8; C10554; Denudatin B 87402-88-8; C10554; Denudatin B

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    Vendors

      None

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    PTAFR-2-E Platelet Activating Factor Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 240 0.36 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) 3.40 2.68 -11.42 0 5 0 54 356.418 6 ↓

    Analogs

    6145655
    6145655

    Draw Identity 99% 90% 80% 70%

    Popular Name: Lexipafant Lexipafant

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    Vendors

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    PTAFR-1-E Platelet Activating Factor Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 0 0.00 Binding ≤ 10μM
    Z50592-1-O Oryctolagus Cuniculus (cluster #1 Of 8), Other Other 4 0.37 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) 3.28 10.55 -17.52 0 8 0 94 458.584 10 ↓
    Lo Low (pH 4.5-6) 3.28 11.07 -43.58 1 8 1 96 459.592 10 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-[4-(2-Chlorophenyl)-9-methyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-2-yl]-2-propyn-1-ol 3-[4-(2-Chlorophenyl)-9-methyl-6…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    PTAFR-1-E Platelet Activating Factor Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 180 0.38 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) 2.04 7.12 -14.58 1 5 0 63 368.849 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: WE-941 WE-941

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    PTAFR-1-E Platelet Activating Factor Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 300 0.42 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) 3.17 8.92 -10.07 0 4 0 43 393.697 1 ↓
    Mid Mid (pH 6-8) 3.17 9.86 -33.76 1 4 1 45 394.705 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-Ethynyl-n,n-dimethyl-3-[3-fluoro-4-[(2-methyl-1h-imidazo-[4,5-c]pyridin-1-yl)methyl]benzoyl]-1h-indole-1-carboxamide hydrochloride 4-Ethynyl-n,n-dimethyl-3-[3-fluo…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    PTAFR-2-E Platelet Activating Factor Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 2 0.34 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) 3.46 14.21 -22.36 0 7 0 73 479.515 4 ↓

    Analogs

    1532042
    1532042

    Draw Identity 99% 90% 80% 70%

    Popular Name: Ganschisandrine Ganschisandrine

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    PTAFR-2-E Platelet Activating Factor Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 4500 0.28 Binding ≤ 10μM
    Z50466-1-O Trypanosoma Cruzi (cluster #1 Of 8), Other Other 4400 0.28 Functional ≤ 10μM
    Z50607-1-O Human Immunodeficiency Virus 1 (cluster #1 Of 10), Other Other 7700 0.27 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) 4.11 8.79 -11.19 0 5 0 46 372.461 6 ↓

    Analogs

    31970581
    31970581
    35566831
    35566831
    35566833
    35566833
    4245649
    4245649
    4245650
    4245650

    Draw Identity 99% 90% 80% 70%

    Popular Name: ginkgolide b ginkgolide b

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    And 3 More

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    GLRA1-1-E Glycine Receptor Subunit Alpha-1 (cluster #1 Of 2), Eukaryotic Eukaryotes 2900 0.26 Binding ≤ 10μM
    GLRA2-1-E Glycine Receptor Subunit Alpha-2 (cluster #1 Of 2), Eukaryotic Eukaryotes 3700 0.25 Binding ≤ 10μM
    PTAFR-1-E Platelet Activating Factor Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 180 0.31 Binding ≤ 10μM
    PTAFR-2-E Platelet Activating Factor Receptor (cluster #2 Of 3), Eukaryotic Eukaryotes 740 0.29 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) -2.38 -3.74 -19.56 3 10 0 148 424.402 1 ↓

    Analogs

    1532042
    1532042

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S,3R,4S,5R)-2,5-bis(3,4-dimethoxyphenyl)-3,4-dimethyl-tetrahydrofuran (2S,3R,4S,5R)-2,5-bis(3,4-dimeth…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    PTAFR-2-E Platelet Activating Factor Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 200 0.35 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) 4.11 8.27 -11.02 0 5 0 46 372.461 6 ↓

    Analogs

    35464898
    35464898
    35464901
    35464901
    35464904
    35464904

    Draw Identity 99% 90% 80% 70%

    Popular Name: Pinusolide Pinusolide

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    PTAFR-1-E Platelet Activating Factor Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 250 0.37 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) 3.37 4.63 -14.15 0 4 0 52 346.467 5 ↓

    Analogs

    35464898
    35464898
    35464901
    35464901
    35464904
    35464904

    Draw Identity 99% 90% 80% 70%

    Popular Name: methyl methyl

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    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    PTAFR-1-E Platelet Activating Factor Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 250 0.37 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) 3.37 11.16 -16.43 0 4 0 53 346.467 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: Rupatadine Fumarate Rupatadine Fumarate

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    And 29 More

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    HRH1-1-E Histamine H1 Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 4 0.39 Binding ≤ 10μM
    PTAFR-2-E Platelet Activating Factor Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 3700 0.25 Binding ≤ 10μM
    Z50512-1-O Cavia Porcellus (cluster #1 Of 7), Other Other 4 0.39 Functional ≤ 10μM
    Z50592-3-O Oryctolagus Cuniculus (cluster #3 Of 8), Other Other 3700 0.25 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) 4.72 1.24 -43.61 1 3 1 30 416.976 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: A-85783 A-85783

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    PTAFR-2-E Platelet Activating Factor Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 4 0.32 Binding ≤ 10μM
    PTAFR-1-E Platelet Activating Factor Receptor (cluster #1 Of 3), Eukaryotic Eukaryotes 4 0.32 Functional ≤ 10μM
    Z50592-1-O Oryctolagus Cuniculus (cluster #1 Of 1), Other Other 4 0.32 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) 5.28 2.16 -16.31 0 6 0 60 510.594 4 ↓

    Analogs

    8860523
    8860523
    14255579
    14255579
    17654196
    17654196
    38143169
    38143169
    43379726
    43379726

    Draw Identity 99% 90% 80% 70%

    Popular Name: LS-53244 LS-53244

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    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    PTAFR-2-E Platelet Activating Factor Receptor (cluster #2 Of 3), Eukaryotic Eukaryotes 1800 0.23 Functional ≤ 10μM
    Z50417-1-O Leishmania Infantum (cluster #1 Of 4), Other Other 820 0.24 Functional ≤ 10μM
    Z50607-9-O Human Immunodeficiency Virus 1 (cluster #9 Of 10), Other Other 920 0.24 Functional ≤ 10μM
    Z80156-3-O HL-60 (Promyeloblast Leukemia Cells) (cluster #3 Of 12), Other Other 260 0.26 Functional ≤ 10μM
    Z80156-3-O HL-60 (Promyeloblast Leukemia Cells) (cluster #3 Of 12), Other Other 6100 0.21 Functional ≤ 10μM
    Z80166-2-O HT-29 (Colon Adenocarcinoma Cells) (cluster #2 Of 12), Other Other 2000 0.23 Functional ≤ 10μM
    Z80186-3-O K562 (Erythroleukemia Cells) (cluster #3 Of 11), Other Other 6100 0.21 Functional ≤ 10μM
    Z80678-1-O AMML Cell Line (cluster #1 Of 1), Other Other 1350 0.23 Functional ≤ 10μM
    Z80678-1-O AMML Cell Line (cluster #1 Of 1), Other Other 3300 0.22 Functional ≤ 10μM
    Z80777-1-O CML/BC Cell Line (cluster #1 Of 1), Other Other 250 0.26 Functional ≤ 10μM
    Z80777-1-O CML/BC Cell Line (cluster #1 Of 1), Other Other 1500 0.23 Functional ≤ 10μM
    Z81245-2-O MDA-MB-435 (Breast Carcinoma Cells) (cluster #2 Of 6), Other Other 3000 0.22 Functional ≤ 10μM
    Z81252-2-O MDA-MB-231 (Breast Adenocarcinoma Cells) (cluster #2 Of 11), Other Other 5000 0.21 Functional ≤ 10μM
    Z80548-1-O THP-1 (Acute Monocytic Leukemia Cells) (cluster #1 Of 4), Other Other 4960 0.21 ADME/T ≤ 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) 3.81 18.9 -48.04 0 7 0 77 523.736 27 ↓

    Analogs

    17654196
    17654196
    38143169
    38143169
    43379726
    43379726
    43379728
    43379728
    8195621
    8195621

    Draw Identity 99% 90% 80% 70%

    Popular Name: LS-53244 LS-53244

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    Vendors

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    PTAFR-2-E Platelet Activating Factor Receptor (cluster #2 Of 3), Eukaryotic Eukaryotes 1800 0.23 Functional ≤ 10μM
    Z50417-1-O Leishmania Infantum (cluster #1 Of 4), Other Other 820 0.24 Functional ≤ 10μM
    Z50607-9-O Human Immunodeficiency Virus 1 (cluster #9 Of 10), Other Other 920 0.24 Functional ≤ 10μM
    Z80156-3-O HL-60 (Promyeloblast Leukemia Cells) (cluster #3 Of 12), Other Other 260 0.26 Functional ≤ 10μM
    Z80156-3-O HL-60 (Promyeloblast Leukemia Cells) (cluster #3 Of 12), Other Other 6100 0.21 Functional ≤ 10μM
    Z80166-2-O HT-29 (Colon Adenocarcinoma Cells) (cluster #2 Of 12), Other Other 2000 0.23 Functional ≤ 10μM
    Z80186-3-O K562 (Erythroleukemia Cells) (cluster #3 Of 11), Other Other 6100 0.21 Functional ≤ 10μM
    Z80678-1-O AMML Cell Line (cluster #1 Of 1), Other Other 1350 0.23 Functional ≤ 10μM
    Z80678-1-O AMML Cell Line (cluster #1 Of 1), Other Other 3300 0.22 Functional ≤ 10μM
    Z80777-1-O CML/BC Cell Line (cluster #1 Of 1), Other Other 250 0.26 Functional ≤ 10μM
    Z80777-1-O CML/BC Cell Line (cluster #1 Of 1), Other Other 1500 0.23 Functional ≤ 10μM
    Z81245-2-O MDA-MB-435 (Breast Carcinoma Cells) (cluster #2 Of 6), Other Other 3000 0.22 Functional ≤ 10μM
    Z81252-2-O MDA-MB-231 (Breast Adenocarcinoma Cells) (cluster #2 Of 11), Other Other 5000 0.21 Functional ≤ 10μM
    Z80548-1-O THP-1 (Acute Monocytic Leukemia Cells) (cluster #1 Of 4), Other Other 4960 0.21 ADME/T ≤ 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

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3,3-diphenyl-1-[4-(3-pyridylmethyl)piperazin-1-yl]propan-1-one 3,3-diphenyl-1-[4-(3-pyridylmeth…

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    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    PTAFR-3-E Platelet Activating Factor Receptor (cluster #3 Of 3), Eukaryotic Eukaryotes 520 0.30 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) 3.18 10.82 -10.95 0 4 0 36 385.511 6 ↓
    Lo Low (pH 4.5-6) 3.18 13.32 -116.02 2 4 2 39 387.527 6 ↓

    Analogs

    13729124
    13729124

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2,2-diphenyl-1-[4-[(1R)-1-(3-pyridyl)ethyl]piperazin-1-yl]ethanone 2,2-diphenyl-1-[4-[(1R)-1-(3-pyr…

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    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    PTAFR-3-E Platelet Activating Factor Receptor (cluster #3 Of 3), Eukaryotic Eukaryotes 1200 0.29 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) 3.47 10.65 -11.29 0 4 0 36 385.511 5 ↓
    Lo Low (pH 4.5-6) 3.47 12.92 -110.83 2 4 2 39 387.527 5 ↓

    Analogs

    13729121
    13729121

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2,2-diphenyl-1-[4-[(1S)-1-(3-pyridyl)ethyl]piperazin-1-yl]ethanone 2,2-diphenyl-1-[4-[(1S)-1-(3-pyr…

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    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    PTAFR-3-E Platelet Activating Factor Receptor (cluster #3 Of 3), Eukaryotic Eukaryotes 1200 0.29 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) 3.47 10.57 -9.57 0 4 0 36 385.511 5 ↓
    Lo Low (pH 4.5-6) 3.47 12.8 -113.59 2 4 2 39 387.527 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(diphenylacetyl)-4-(3-pyridinylmethyl)piperazine 1-(diphenylacetyl)-4-(3-pyridiny…

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    And 10 More

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    PTAFR-3-E Platelet Activating Factor Receptor (cluster #3 Of 3), Eukaryotic Eukaryotes 2600 0.28 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) 2.91 9.76 -12.17 0 4 0 36 371.484 5 ↓

    Analogs

    13745797
    13745797
    13745799
    13745799
    26816189
    26816189

    Draw Identity 99% 90% 80% 70%

    Popular Name: methyl methyl

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    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    PTAFR-3-E Platelet Activating Factor Receptor (cluster #3 Of 3), Eukaryotic Eukaryotes 41 0.33 Functional ≤ 10μM
    Z50592-3-O Oryctolagus Cuniculus (cluster #3 Of 8), Other Other 41 0.33 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) 0.66 7.19 -22.14 1 8 0 99 421.501 7 ↓
    Lo Low (pH 4.5-6) 0.66 9.28 -128.94 3 8 2 101 423.517 7 ↓

    Analogs

    13745799
    13745799
    26816189
    26816189
    13745795
    13745795

    Draw Identity 99% 90% 80% 70%

    Popular Name: methyl methyl

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    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    PTAFR-3-E Platelet Activating Factor Receptor (cluster #3 Of 3), Eukaryotic Eukaryotes 41 0.33 Functional ≤ 10μM
    Z50592-3-O Oryctolagus Cuniculus (cluster #3 Of 8), Other Other 41 0.33 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) 0.66 7.37 -22.02 1 8 0 99 421.501 7 ↓
    Lo Low (pH 4.5-6) 0.66 9.48 -131.13 3 8 2 101 423.517 7 ↓

    Analogs

    26816189
    26816189
    13745795
    13745795
    13745797
    13745797

    Draw Identity 99% 90% 80% 70%

    Popular Name: methyl methyl

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    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    PTAFR-3-E Platelet Activating Factor Receptor (cluster #3 Of 3), Eukaryotic Eukaryotes 41 0.33 Functional ≤ 10μM
    Z50592-3-O Oryctolagus Cuniculus (cluster #3 Of 8), Other Other 41 0.33 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) 0.66 7.5 -21.82 1 8 0 99 421.501 7 ↓
    Lo Low (pH 4.5-6) 0.66 9.44 -129.01 3 8 2 101 423.517 7 ↓

    Analogs

    13745795
    13745795
    13745797
    13745797
    13745799
    13745799

    Draw Identity 99% 90% 80% 70%

    Popular Name: methyl methyl

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    PTAFR-3-E Platelet Activating Factor Receptor (cluster #3 Of 3), Eukaryotic Eukaryotes 41 0.33 Functional ≤ 10μM
    Z50592-3-O Oryctolagus Cuniculus (cluster #3 Of 8), Other Other 41 0.33 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) 0.66 7.49 -19.86 1 8 0 99 421.501 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(3-pyridinylcarbonyl)-4-(3,4,5-trimethoxybenzoyl)piperazine 1-(3-pyridinylcarbonyl)-4-(3,4,5…

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    And 5 More

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    PTAFR-3-E Platelet Activating Factor Receptor (cluster #3 Of 3), Eukaryotic Eukaryotes 5200 0.26 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) -0.25 -0.25 -14.67 0 8 0 81 385.42 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3,3-diphenyl-1-[4-(pyridine-4-carbonyl)piperazin-1-yl]propan-1-one 3,3-diphenyl-1-[4-(pyridine-4-ca…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    PTAFR-3-E Platelet Activating Factor Receptor (cluster #3 Of 3), Eukaryotic Eukaryotes 1900 0.27 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) 2.29 11.16 -16.4 0 5 0 54 399.494 5 ↓

    Analogs

    12951351
    12951351
    19419633
    19419633
    19555329
    19555329
    19565297
    19565297
    19608260
    19608260

    Draw Identity 99% 90% 80% 70%


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    Popular Name:

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    And 12 More

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    PTAFR-3-E Platelet Activating Factor Receptor (cluster #3 Of 3), Eukaryotic Eukaryotes 9400 0.21 Functional ≤ 10μM
    Z50592-3-O Oryctolagus Cuniculus (cluster #3 Of 8), Other Other 1780 0.24 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) 0.62 1.47 -18.28 0 10 0 96 474.51 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: A-85783 A-85783

    Find On: PubMed — Wikipedia — Google

    Vendors

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    PTAFR-1-E Platelet Activating Factor Receptor (cluster #1 Of 3), Eukaryotic Eukaryotes 4 0.32 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) 5.28 16.03 -15.69 0 6 0 60 510.594 4 ↓

    Parameters Provided:

    annotation.name = PTAFR_HUMAN
anotation.type = B10
page.format = summary
page.num = 1
filter.purchasability = purchasable

    Structural Results Found: (before additional filtering)

    SQL Query Was

    SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN note AS n ON ci.sub_id_fk=n.sub_id_fk INNER JOIN annotation AS a ON n.anno_id_fk=a.anno_id  WHERE c.free = 1 AND a.short_desc LIKE 'PTAFR\\_HUMAN' AND c.purchasable IN (1,2,4,5)    LIMIT 50

    Permalink

    //zinc12.docking.org/results/combination?annotation.name=PTAFR_HUMAN&filter.purchasability=purchasable

    Embed Link to Results

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