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

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [(E)-cyclohexylmethyleneamino]thiourea [(E)-cyclohexylmethyleneamino]th…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    Z80035-3-O B16 (Melanoma Cells) (cluster #3 Of 7), Other Other 3400 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) 2.04 4.59 -11.25 3 3 0 50 185.296 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-methylbenzaldehyde thiosemicarbazone 3-methylbenzaldehyde thiosemicar…

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    And 1 More

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    Z80035-3-O B16 (Melanoma Cells) (cluster #3 Of 7), Other Other 2800 0.60 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) 2.31 -2.95 -10.5 3 3 0 50 193.275 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-methylbenzaldehyde thiosemicarbazone 2-methylbenzaldehyde thiosemicar…

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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
    Z80035-3-O B16 (Melanoma Cells) (cluster #3 Of 7), Other Other 3400 0.59 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) 2.28 5.41 -10.62 3 3 0 50 193.275 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-naphthaldehyde thiosemicarbazone 1-naphthaldehyde thiosemicarbazone

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    Z80035-3-O B16 (Melanoma Cells) (cluster #3 Of 7), Other Other 1100 0.52 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) 3.04 6.66 -11.99 3 3 0 50 229.308 3 ↓

    Analogs

    38546840
    38546840

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(p-tolyl)propylideneaminothiourea 1-(p-tolyl)propylideneaminothiourea

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    Z80035-3-O B16 (Melanoma Cells) (cluster #3 Of 7), Other Other 2600 0.52 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) 2.75 -2.24 -10.12 3 3 0 50 221.329 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%


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    Popular Name:

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    And 11 More

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    Z80035-3-O B16 (Melanoma Cells) (cluster #3 Of 7), Other Other 3700 0.51 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) 2.54 5.98 -10.08 3 3 0 50 221.329 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(1,2,3,4-tetrahydronaphthalen-1-yliden)hydrazine-1-carbothioamide 2-(1,2,3,4-tetrahydronaphthalen-…

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    And 19 More

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    Z80035-3-O B16 (Melanoma Cells) (cluster #3 Of 7), Other Other 2300 0.53 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) 2.20 6.15 -10.21 3 3 0 50 219.313 2 ↓

    Analogs

    16890891
    16890891

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(2-Thienyl)ethanone thiosemicarbazone 1-(2-Thienyl)ethanone thiosemica…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    Z80035-3-O B16 (Melanoma Cells) (cluster #3 Of 7), Other Other 6100 0.61 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) 1.70 4.12 -10 3 3 0 50 199.304 3 ↓

    Analogs

    18140396
    18140396
    39945527
    39945527
    56688562
    56688562

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-methylbenzaldehyde thiosemicarbazone 4-methylbenzaldehyde thiosemicar…

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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
    Z80035-3-O B16 (Melanoma Cells) (cluster #3 Of 7), Other Other 6800 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) 2.33 5.13 -10.67 3 3 0 50 193.275 3 ↓

    Parameters Provided:

    target.name = Z80035-3-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 'Z80035-3-O' AND t.atype_fk = 5 AND c.purchasable IN (1,2,4,5)    LIMIT 50

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    //zinc12.docking.org/results/combination?target.name=Z80035-3-O&target.type=F10&filter.purchasability=purchasable

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