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

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-Benzothiazol-2-yl-3-bromo-phenylamine 4-Benzothiazol-2-yl-3-bromo-phen…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    Z80224-1-O MCF7 (Breast Carcinoma Cells) (cluster #1 Of 14), Other Other 0 0.00 Functional ≤ 10μM
    Z80244-2-O MDA-MB-468 (Breast Adenocarcinoma) (cluster #2 Of 7), Other Other 0 0.00 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) 4.10 6.64 -10.79 2 2 0 39 305.2 1 ↓

    Analogs

    3632998
    3632998
    39964931
    39964931
    39964932
    39964932

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-Benzothiazol-2-yl-3-chloro-phenylamine 4-Benzothiazol-2-yl-3-chloro-phe…

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    And 16 More

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    Z80224-1-O MCF7 (Breast Carcinoma Cells) (cluster #1 Of 14), Other Other 0 0.00 Functional ≤ 10μM
    Z80244-2-O MDA-MB-468 (Breast Adenocarcinoma) (cluster #2 Of 7), Other Other 0 0.00 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) 3.97 5.95 -9.38 2 2 0 39 260.749 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-Bromo-4-(6-methyl-benzothiazol-2-yl)-phenylamine 3-Bromo-4-(6-methyl-benzothiazol…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    Z80224-1-O MCF7 (Breast Carcinoma Cells) (cluster #1 Of 14), Other Other 0 0.00 Functional ≤ 10μM
    Z80244-2-O MDA-MB-468 (Breast Adenocarcinoma) (cluster #2 Of 7), Other Other 0 0.00 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) 4.53 7.31 -10.53 2 2 0 39 319.227 1 ↓

    Analogs

    39964927
    39964927

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-Benzothiazol-2-yl-2-chloro-phenylamine 4-Benzothiazol-2-yl-2-chloro-phe…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    Z80224-1-O MCF7 (Breast Carcinoma Cells) (cluster #1 Of 14), Other Other 1 0.74 Functional ≤ 10μM
    Z80244-2-O MDA-MB-468 (Breast Adenocarcinoma) (cluster #2 Of 7), Other Other 100 0.58 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) 4.38 -2.34 -7.76 2 2 0 38 260.749 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: GW8510 GW8510

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    CCNA1-1-E Cyclin A1 (cluster #1 Of 3), Eukaryotic Eukaryotes 10 0.36 Binding ≤ 10μM
    CCNA2-1-E Cyclin A2 (cluster #1 Of 3), Eukaryotic Eukaryotes 10 0.36 Binding ≤ 10μM
    CDK1-1-E Cyclin-dependent Kinase 1 (cluster #1 Of 4), Eukaryotic Eukaryotes 100 0.32 Binding ≤ 10μM
    CDK2-1-E Cyclin-dependent Kinase 2 (cluster #1 Of 5), Eukaryotic Eukaryotes 10 0.36 Binding ≤ 10μM
    NTRK1-1-E Nerve Growth Factor Receptor Trk-A (cluster #1 Of 1), Eukaryotic Eukaryotes 9 0.36 Binding ≤ 10μM
    Z50418-2-O Trypanosoma Brucei (cluster #2 Of 6), Other Other 119 0.31 Functional ≤ 10μM
    Z80166-1-O HT-29 (Colon Adenocarcinoma Cells) (cluster #1 Of 12), Other Other 5100 0.24 Functional ≤ 10μM
    Z80244-2-O MDA-MB-468 (Breast Adenocarcinoma) (cluster #2 Of 7), Other Other 6800 0.23 Functional ≤ 10μM
    Z80427-1-O RKO (Colon Carcinoma) (cluster #1 Of 1), Other Other 1700 0.26 Functional ≤ 10μM
    Z81331-1-O SW-620 (Colon Adenocarcinoma Cells) (cluster #1 Of 6), Other Other 10000 0.23 Functional ≤ 10μM

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.26 5.59 -18.74 3 8 0 117 449.517 5 ↓
    Hi High (pH 8-9.5) 3.26 5.12 -53.22 2 8 -1 119 448.509 5 ↓
    Hi High (pH 8-9.5) 3.26 5.03 -53.98 2 8 -1 119 448.509 5 ↓

    Analogs

    612979
    612979
    34937751
    34937751
    34961729
    34961729

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-(1,3-Benzothiazol-2-yl)phenol 3-(1,3-Benzothiazol-2-yl)phenol

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    Z80244-2-O MDA-MB-468 (Breast Adenocarcinoma) (cluster #2 Of 7), Other Other 50 0.64 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) 3.79 4.93 -9 1 2 0 33 227.288 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-pyridinecarbaldehyde (4-{3-nitrophenyl}-1,3-thiazol-2-yl)hydrazone 2-pyridinecarbaldehyde (4-{3-nit…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    Z80244-2-O MDA-MB-468 (Breast Adenocarcinoma) (cluster #2 Of 7), Other Other 8300 0.31 Functional ≤ 10μM
    Z80526-1-O SW480 (Colon Adenocarcinoma Cells) (cluster #1 Of 6), Other Other 1500 0.35 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) 2.72 -0.04 -19.22 1 7 0 95 325.353 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-(1,3-benzothiazol-2-yl)-3-methyl-aniline 4-(1,3-benzothiazol-2-yl)-3-meth…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    Z80224-1-O MCF7 (Breast Carcinoma Cells) (cluster #1 Of 14), Other Other 0 0.00 Functional ≤ 10μM
    Z80244-2-O MDA-MB-468 (Breast Adenocarcinoma) (cluster #2 Of 7), Other Other 0 0.00 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) 3.74 6.06 -10.74 2 2 0 39 240.331 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 8-((6-Bromobenzo[d][1,3]dioxol-5-yl)thio)-9-(pent-4-yn-1-yl)-9H-purin-6-amine 8-((6-Bromobenzo[d][1,3]dioxol-5…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    HS90A-2-E Heat Shock Protein HSP 90-alpha (cluster #2 Of 4), Eukaryotic Eukaryotes 30 0.41 Binding ≤ 10μM
    HS90B-2-E Heat Shock Protein HSP 90-beta (cluster #2 Of 2), Eukaryotic Eukaryotes 77 0.38 Binding ≤ 10μM
    HS90A-1-E Heat Shock Protein HSP 90-alpha (cluster #1 Of 3), Eukaryotic Eukaryotes 300 0.35 Functional ≤ 10μM
    HS90B-1-E Heat Shock Protein HSP 90-beta (cluster #1 Of 3), Eukaryotic Eukaryotes 365 0.35 Functional ≤ 10μM
    Z80244-2-O MDA-MB-468 (Breast Adenocarcinoma) (cluster #2 Of 7), Other Other 560 0.34 Functional ≤ 10μM
    Z80434-1-O RPTEC (Renal Proximal Tubule Epithelial Cells) (cluster #1 Of 1), Other Other 4100 0.29 Functional ≤ 10μM
    Z80475-3-O SK-BR-3 (Breast Adenocarcinoma) (cluster #3 Of 3), Other Other 300 0.35 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) 4.08 -2.86 -11.5 2 7 0 88 432.303 5 ↓

    Analogs

    3560707
    3560707

    Draw Identity 99% 90% 80% 70%


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    Popular Name:

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    Z80186-1-O K562 (Erythroleukemia Cells) (cluster #1 Of 11), Other Other 1200 0.38 Functional ≤ 10μM
    Z80244-2-O MDA-MB-468 (Breast Adenocarcinoma) (cluster #2 Of 7), Other Other 3400 0.35 Functional ≤ 10μM
    Z81247-1-O HeLa (Cervical Adenocarcinoma Cells) (cluster #1 Of 9), Other Other 1600 0.37 Functional ≤ 10μM
    Z81252-3-O MDA-MB-231 (Breast Adenocarcinoma Cells) (cluster #3 Of 11), Other Other 1100 0.38 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) 3.09 0.11 -9.99 1 4 0 54 309.394 3 ↓

    Analogs

    12798738
    12798738

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[4-(2,4-dimethylphenyl)thiazol-2-yl]pyridine-3-carboxamide N-[4-(2,4-dimethylphenyl)thiazol…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    Z80186-1-O K562 (Erythroleukemia Cells) (cluster #1 Of 11), Other Other 8200 0.32 Functional ≤ 10μM
    Z80244-2-O MDA-MB-468 (Breast Adenocarcinoma) (cluster #2 Of 7), Other Other 5500 0.33 Functional ≤ 10μM
    Z81247-1-O HeLa (Cervical Adenocarcinoma Cells) (cluster #1 Of 9), Other Other 5800 0.33 Functional ≤ 10μM
    Z81252-3-O MDA-MB-231 (Breast Adenocarcinoma Cells) (cluster #3 Of 11), Other Other 4100 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) 3.14 -0.37 -9.43 1 4 0 54 309.394 3 ↓

    Analogs

    14393195
    14393195
    3417352
    3417352
    6338027
    6338027

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(trifluoromethyl)-N-[4-(2,4,6-trimethylphenyl)thiazol-2-yl]-benzamide 2-(trifluoromethyl)-N-[4-(2,4,6-…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    Z80186-1-O K562 (Erythroleukemia Cells) (cluster #1 Of 11), Other Other 7500 0.27 Functional ≤ 10μM
    Z80244-2-O MDA-MB-468 (Breast Adenocarcinoma) (cluster #2 Of 7), Other Other 4100 0.28 Functional ≤ 10μM
    Z81252-3-O MDA-MB-231 (Breast Adenocarcinoma Cells) (cluster #3 Of 11), Other Other 5900 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) 5.60 2.42 -13 1 3 0 41 390.43 4 ↓

    Analogs

    7796194
    7796194

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[4-(2,4-dimethylphenyl)thiazol-2-yl]pyridine-2-carboxamide N-[4-(2,4-dimethylphenyl)thiazol…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    Z80244-2-O MDA-MB-468 (Breast Adenocarcinoma) (cluster #2 Of 7), Other Other 6200 0.33 Functional ≤ 10μM
    Z81252-3-O MDA-MB-231 (Breast Adenocarcinoma Cells) (cluster #3 Of 11), Other Other 7500 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) 3.21 8.32 -9.54 1 4 0 55 309.394 3 ↓

    Analogs

    5538812
    5538812

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[4-(2,4,6-trimethylphenyl)thiazol-2-yl]pyridine-3-carboxamide N-[4-(2,4,6-trimethylphenyl)thia…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    Z80186-1-O K562 (Erythroleukemia Cells) (cluster #1 Of 11), Other Other 3900 0.33 Functional ≤ 10μM
    Z80244-2-O MDA-MB-468 (Breast Adenocarcinoma) (cluster #2 Of 7), Other Other 3000 0.34 Functional ≤ 10μM
    Z81247-1-O HeLa (Cervical Adenocarcinoma Cells) (cluster #1 Of 9), Other Other 3600 0.33 Functional ≤ 10μM
    Z81252-3-O MDA-MB-231 (Breast Adenocarcinoma Cells) (cluster #3 Of 11), Other Other 3200 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) 3.52 8.62 -9.52 1 4 0 55 323.421 3 ↓

    Analogs

    204326
    204326

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(4-mesitylthiazol-2-yl)pyrazinamide N-(4-mesitylthiazol-2-yl)pyrazin…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    Z80186-1-O K562 (Erythroleukemia Cells) (cluster #1 Of 11), Other Other 5900 0.32 Functional ≤ 10μM
    Z80244-2-O MDA-MB-468 (Breast Adenocarcinoma) (cluster #2 Of 7), Other Other 4700 0.32 Functional ≤ 10μM
    Z81247-1-O HeLa (Cervical Adenocarcinoma Cells) (cluster #1 Of 9), Other Other 5700 0.32 Functional ≤ 10μM
    Z81252-3-O MDA-MB-231 (Breast Adenocarcinoma Cells) (cluster #3 Of 11), Other Other 3200 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) 3.29 -1.33 -9.92 1 5 0 67 324.409 3 ↓

    Analogs

    175146
    175146

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[4-(2,4,6-trimethylphenyl)thiazol-2-yl]benzamide N-[4-(2,4,6-trimethylphenyl)thia…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    Z80186-1-O K562 (Erythroleukemia Cells) (cluster #1 Of 11), Other Other 2500 0.34 Functional ≤ 10μM
    Z80244-2-O MDA-MB-468 (Breast Adenocarcinoma) (cluster #2 Of 7), Other Other 2100 0.35 Functional ≤ 10μM
    Z81247-1-O HeLa (Cervical Adenocarcinoma Cells) (cluster #1 Of 9), Other Other 2400 0.34 Functional ≤ 10μM
    Z81252-3-O MDA-MB-231 (Breast Adenocarcinoma Cells) (cluster #3 Of 11), Other Other 1700 0.35 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) 4.76 0.46 -9.2 1 3 0 41 322.433 3 ↓

    Analogs

    34219116
    34219116
    39343608
    39343608

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-(1,3-benzothiazol-2-yl)phenol 4-(1,3-benzothiazol-2-yl)phenol

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    And 17 More

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    TYRO-8-F Tyrosinase (cluster #8 Of 8), Fungal Fungi 567 0.55 Binding ≤ 10μM
    Z80244-2-O MDA-MB-468 (Breast Adenocarcinoma) (cluster #2 Of 7), Other Other 400 0.56 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) 3.81 4.95 -8.57 1 2 0 33 227.288 1 ↓

    Analogs

    14393193
    14393193

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[4-(2,4,6-trimethylphenyl)thiazol-2-yl]pyridine-2-carboxamide N-[4-(2,4,6-trimethylphenyl)thia…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    Z80186-1-O K562 (Erythroleukemia Cells) (cluster #1 Of 11), Other Other 4900 0.32 Functional ≤ 10μM
    Z80244-2-O MDA-MB-468 (Breast Adenocarcinoma) (cluster #2 Of 7), Other Other 2300 0.34 Functional ≤ 10μM
    Z81247-1-O HeLa (Cervical Adenocarcinoma Cells) (cluster #1 Of 9), Other Other 5200 0.32 Functional ≤ 10μM
    Z81252-3-O MDA-MB-231 (Breast Adenocarcinoma Cells) (cluster #3 Of 11), Other Other 4100 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) 3.59 -0.49 -9.68 1 4 0 54 323.421 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-(1,3-benzothiazol-2-yl)aniline 4-(1,3-benzothiazol-2-yl)aniline

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    A4-2-E Beta Amyloid A4 Protein (cluster #2 Of 5), Eukaryotic Eukaryotes 37 0.65 Binding ≤ 10μM
    Z80224-1-O MCF7 (Breast Carcinoma Cells) (cluster #1 Of 14), Other Other 1 0.79 Functional ≤ 10μM
    Z80244-2-O MDA-MB-468 (Breast Adenocarcinoma) (cluster #2 Of 7), Other Other 2 0.76 Functional ≤ 10μM
    Z80475-2-O SK-BR-3 (Breast Adenocarcinoma) (cluster #2 Of 3), Other Other 8 0.71 Functional ≤ 10μM
    Z80608-4-O ZR-75-1 (Breast Carcinoma Cells) (cluster #4 Of 4), Other Other 28 0.66 Functional ≤ 10μM
    Z81252-3-O MDA-MB-231 (Breast Adenocarcinoma Cells) (cluster #3 Of 11), Other Other 17 0.68 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) 3.37 5.65 -8.79 2 2 0 39 226.304 1 ↓

    Parameters Provided:

    target.name = Z80244-2-O
target.type = F10
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 activity AS ac ON ci.sub_id_fk=ac.sub_id_fk INNER JOIN target AS t ON ac.target_fk=t.target_id  WHERE c.free = 1 AND t.code LIKE 'Z80244-2-O' AND t.atype_fk = 5 AND c.purchasable IN (1,2,4,5)    LIMIT 50

    Permalink

    //zinc12.docking.org/results/combination?target.name=Z80244-2-O&target.type=F10&filter.purchasability=purchasable

    Embed Link to Results

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    file: /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php
    line: 245