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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: (3E)-5-bromo-3-[(2,4,6-trichlorophenyl)hydrazono]indolin-2-one (3E)-5-bromo-3-[(2,4,6-trichloro…

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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) 5.67 7.75 -8.26 2 4 0 57 419.493 2 ↓
    Hi High (pH 8-9.5) 6.13 5.71 -42.8 1 4 -1 60 418.485 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%


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    Popular Name:

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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) 4.07 7.52 -14.14 2 7 0 103 375.182 3 ↓
    Ref Reference (pH 7) 4.07 7.29 -10.75 2 7 0 103 375.182 3 ↓
    Hi High (pH 8-9.5) 4.53 5.62 -56.33 1 7 -1 106 374.174 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-chloro-5-[(N'Z)-N'-[1-(2-ethoxy-2-oxo-ethyl)-2-oxo-indolin-3-ylidene]hydrazino]benzoic 2-chloro-5-[(N'Z)-N'-[1-(2-ethox…

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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) 3.48 9.71 -60.12 1 8 -1 113 400.798 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3Z)-3-[[4-[2-(2-hydroxyethoxy)ethylsulfamoyl]phenyl]hydrazono]-2-oxo-indoline-5-carboxamide (3Z)-3-[[4-[2-(2-hydroxyethoxy)e…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    CDK1-3-E Cyclin-dependent Kinase 1 (cluster #3 Of 4), Eukaryotic Eukaryotes 2800 0.25 Binding ≤ 10μM
    CDK2-2-E Cyclin-dependent Kinase 2 (cluster #2 Of 5), Eukaryotic Eukaryotes 4500 0.24 Binding ≤ 10μM
    ChEMBL Target Annotations
    Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
    CDK1_HUMAN P06493 Cyclin-dependent Kinase 1, Human 2800 0.25 Binding ≤ 10μM
    CDK2_HUMAN P24941 Cyclin-dependent Kinase 2, Human 4500 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) 0.12 -3.74 -23.39 6 11 0 176 447.473 10 ↓
    Hi High (pH 8-9.5) 0.58 -5.6 -55.16 5 11 -1 179 446.465 10 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3Z)-3-[(4-chlorophenyl)hydrazono]-5,6-dihydroxy-indolin-2-one (3Z)-3-[(4-chlorophenyl)hydrazon…

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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) 2.68 1.09 -9.33 4 6 0 98 303.705 2 ↓
    Hi High (pH 8-9.5) 2.68 2.01 -40.35 3 6 -1 101 302.697 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3Z)-5,6-dihydroxy-3-[(4-isopropylphenyl)hydrazono]indolin-2-one (3Z)-5,6-dihydroxy-3-[(4-isoprop…

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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 2.49 -9.66 4 6 0 98 311.341 3 ↓
    Hi High (pH 8-9.5) 3.52 3.41 -41.83 3 6 -1 101 310.333 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3Z)-5,6-dihydroxy-3-[(4-hydroxyphenyl)hydrazono]indolin-2-one (3Z)-5,6-dihydroxy-3-[(4-hydroxy…

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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) 1.53 -2.28 -11.24 5 7 0 118 285.259 2 ↓
    Hi High (pH 8-9.5) 1.53 -1.36 -42.85 4 7 -1 121 284.251 2 ↓

    Analogs

    13130033
    13130033

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3Z)-3-[(4-isopropylphenyl)hydrazono]indolin-2-one (3Z)-3-[(4-isopropylphenyl)hydra…

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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) 4.51 7.43 -7.54 2 4 0 57 279.343 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3Z)-3-[(4-methoxyphenyl)hydrazono]indolin-2-one (3Z)-3-[(4-methoxyphenyl)hydrazo…

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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) 3.06 4.81 -8.51 2 5 0 66 267.288 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3Z)-3-[[4-(trifluoromethoxy)phenyl]hydrazono]indolin-2-one (3Z)-3-[[4-(trifluoromethoxy)phe…

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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) 3.97 5.31 -6.93 2 5 0 66 321.258 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3Z)-1-butyl-3-[[2-(trifluoromethyl)phenyl]hydrazono]indolin-2-one (3Z)-1-butyl-3-[[2-(trifluoromet…

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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) 5.35 11.08 -12.27 1 4 0 46 361.367 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3Z)-1-butyl-3-(o-tolylhydrazono)indolin-2-one (3Z)-1-butyl-3-(o-tolylhydrazono…

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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) 4.90 10.71 -9.24 1 4 0 46 307.397 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3Z)-1-butyl-3-[(2-fluorophenyl)hydrazono]indolin-2-one (3Z)-1-butyl-3-[(2-fluorophenyl)…

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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 10.07 -11.26 1 4 0 46 311.36 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3Z)-1-butyl-3-[(2-methoxyphenyl)hydrazono]indolin-2-one (3Z)-1-butyl-3-[(2-methoxyphenyl…

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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) 4.51 9.4 -11.78 1 5 0 56 323.396 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3Z)-1-butyl-3-[(2-chlorophenyl)hydrazono]indolin-2-one (3Z)-1-butyl-3-[(2-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) 5.13 10.53 -10.5 1 4 0 46 327.815 5 ↓

    Parameters Provided:

    ring.id = 74273
filter.purchasability = annotated
page.format = targets
page.num = 1

    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 hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 74273 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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    //zinc12.docking.org/results/combination?ring.id=74273&filter.purchasability=annotated

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