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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

    25387914
    25387914
    25387918
    25387918

    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) 3.76 0.2 -8.49 1 3 0 38 275.392 6 ↓

    Analogs

    25387914
    25387914
    25387918
    25387918

    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) 3.76 0.2 -8.58 1 3 0 38 275.392 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-(3-cyclopentylpropanoylamino)-2-phenyl-propanoic (2R)-2-(3-cyclopentylpropanoylam…

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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) 3.02 9.62 -56.98 1 4 -1 69 288.367 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-(3-cyclopentylpropanoylamino)-2-phenyl-propanoic (2S)-2-(3-cyclopentylpropanoylam…

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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) 3.02 9.61 -57.12 1 4 -1 69 288.367 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[[4-(2-aminoethyl)phenyl]methyl]-3-cyclopentyl-propanamide N-[[4-(2-aminoethyl)phenyl]methy…

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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) 2.12 6.55 -51.47 4 3 1 57 275.416 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(3-aminophenyl)methyl]-3-cyclopentyl-propanamide N-[(3-aminophenyl)methyl]-3-cycl…

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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) 2.19 5.58 -7.24 3 3 0 55 246.354 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-cyclopentyl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]propanamide 3-cyclopentyl-N-[[4-(2,2,2-trifl…

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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) 4.02 8.89 -10.54 1 3 0 38 343.389 9 ↓

    Analogs

    25442414
    25442414
    25442410
    25442410

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-cyclopentyl-N-[[2-(dimethylsulfamoyl)phenyl]methyl]propanamide 3-cyclopentyl-N-[[2-(dimethylsul…

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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) 2.41 6.88 -16.29 1 5 0 66 338.473 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-cyclopentyl-N-[(1S)-2-hydroxy-1-phenyl-ethyl]propanamide 3-cyclopentyl-N-[(1S)-2-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) 2.69 5.39 -7.21 2 3 0 49 261.365 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-cyclopentyl-N-[(1R)-2-hydroxy-1-phenyl-ethyl]propanamide 3-cyclopentyl-N-[(1R)-2-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) 2.69 5.39 -7.19 2 3 0 49 261.365 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(4-cyanophenyl)methyl]-3-cyclopentyl-propanamide N-[(4-cyanophenyl)methyl]-3-cycl…

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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) 2.90 8.12 -9.89 1 3 0 53 256.349 5 ↓

    Analogs

    37864314
    37864314
    37864315
    37864315

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(1S)-1-(4-aminophenyl)ethyl]-3-cyclopentyl-propanamide N-[(1S)-1-(4-aminophenyl)ethyl]-…

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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) 2.78 6.44 -7.89 3 3 0 55 260.381 5 ↓

    Analogs

    37864314
    37864314
    37864315
    37864315

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(1R)-1-(4-aminophenyl)ethyl]-3-cyclopentyl-propanamide N-[(1R)-1-(4-aminophenyl)ethyl]-…

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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) 2.78 6.43 -7.83 3 3 0 55 260.381 5 ↓

    Analogs

    37864316
    37864316

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(1S)-1-(3-aminophenyl)ethyl]-3-cyclopentyl-propanamide N-[(1S)-1-(3-aminophenyl)ethyl]-…

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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) 2.75 6.43 -7.71 3 3 0 55 260.381 5 ↓

    Analogs

    37864316
    37864316

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(1R)-1-(3-aminophenyl)ethyl]-3-cyclopentyl-propanamide N-[(1R)-1-(3-aminophenyl)ethyl]-…

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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) 2.75 6.42 -7.75 3 3 0 55 260.381 5 ↓

    Analogs

    37864318
    37864318
    37864319
    37864319

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(1S)-1-(2-aminophenyl)ethyl]-3-cyclopentyl-propanamide N-[(1S)-1-(2-aminophenyl)ethyl]-…

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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) 3.14 6.58 -7.27 3 3 0 55 260.381 5 ↓

    Analogs

    37864318
    37864318
    37864319
    37864319

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(1R)-1-(2-aminophenyl)ethyl]-3-cyclopentyl-propanamide N-[(1R)-1-(2-aminophenyl)ethyl]-…

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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) 3.14 6.55 -7.28 3 3 0 55 260.381 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(2-bromo-5-methoxy-phenyl)methyl]-3-cyclopentyl-propanamide N-[(2-bromo-5-methoxy-phenyl)met…

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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) 3.94 7.6 -7.46 1 3 0 38 340.261 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-cyclopentyl-N-[(3-hydroxy-4-methoxy-phenyl)methyl]propanamide 3-cyclopentyl-N-[(3-hydroxy-4-me…

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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) 2.48 4.86 -9.7 2 4 0 59 277.364 6 ↓

    Analogs

    37810935
    37810935
    37810936
    37810936
    37810938
    37810938
    37810965
    37810965
    37810966
    37810966

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-cyclopentyl-N-[(3-nitrophenyl)methyl]propanamide 3-cyclopentyl-N-[(3-nitrophenyl)…

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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 8.43 -11.49 1 5 0 75 276.336 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-[(3-cyclopentylpropanoylamino)methyl]benzoic 3-[(3-cyclopentylpropanoylamino)…

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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) 3.03 8.28 -51.66 1 4 -1 69 274.34 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(4-bromophenyl)methyl]-3-cyclopentyl-N-methyl-propanamide N-[(4-bromophenyl)methyl]-3-cycl…

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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) 4.20 10.45 -7.89 0 2 0 20 324.262 5 ↓

    Analogs

    42253744
    42253744

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(1S)-1-(4-bromophenyl)ethyl]-3-cyclopentyl-propanamide N-[(1S)-1-(4-bromophenyl)ethyl]-…

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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 9.18 -7.07 1 2 0 29 324.262 5 ↓

    Analogs

    42253741
    42253741

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(1R)-1-(4-bromophenyl)ethyl]-3-cyclopentyl-propanamide N-[(1R)-1-(4-bromophenyl)ethyl]-…

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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 9.19 -7.02 1 2 0 29 324.262 5 ↓

    Analogs

    37798062
    37798062
    37798063
    37798063
    37798068
    37798068
    37798083
    37798083

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(2-bromophenyl)methyl]-3-cyclopentyl-N-methyl-propanamide N-[(2-bromophenyl)methyl]-3-cycl…

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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) 4.15 11 -8.36 0 2 0 20 324.262 5 ↓

    Parameters Provided:

    ring.id = 3709
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 = 3709 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

    Permalink

    //zinc12.docking.org/results/combination?ring.id=3709&filter.purchasability=annotated

    Embed Link to Results

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