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

    Analogs

    9134735
    9134735

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[3-(methyl-oxo-phenyl-BLAHyl)propanoyl]piperidine-3-carboxylic 1-[3-(methyl-oxo-phenyl-BLAHyl)p…

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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) 4.39 2.74 -64.17 0 7 -1 103 458.49 5 ↓

    Analogs

    9134734
    9134734

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[3-(methyl-oxo-phenyl-BLAHyl)propanoyl]piperidine-3-carboxylic 1-[3-(methyl-oxo-phenyl-BLAHyl)p…

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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) 4.39 2.73 -63.07 0 7 -1 103 458.49 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(4-sulfamoylphenyl)methyl]-2-(trimethyl-oxo-BLAHyl)-acetamide N-[(4-sulfamoylphenyl)methyl]-2-…

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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) 2.57 -4.46 -25.76 3 8 0 132 454.504 5 ↓

    Analogs

    9134924
    9134924

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-(4-chlorophenyl)-N-cyclopropyl-4-[2-(trimethyl-oxo-BLAHyl)acetyl]amino-butanamide 3-(4-chlorophenyl)-N-cyclopropyl…

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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) 5.12 0.3 -21.87 2 7 0 101 521.013 8 ↓

    Analogs

    9134922
    9134922

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-(4-chlorophenyl)-N-cyclopropyl-4-[2-(trimethyl-oxo-BLAHyl)acetyl]amino-butanamide 3-(4-chlorophenyl)-N-cyclopropyl…

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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) 5.12 0.3 -23.37 2 7 0 101 521.013 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 9-hydroxy-4-[(7-methoxy-2-oxo-chromen-8-yl)methyl]pyrano[5,6-f]benzofuran-7-one 9-hydroxy-4-[(7-methoxy-2-oxo-ch…

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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) 3.93 9.01 -21.66 1 7 0 103 390.347 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 6-[3-[4-(2-hydroxyethyl)piperazin-1-yl]-3-oxo-propyl]-3,5-dimethyl-furo[3,2-g]chromen-7-one 6-[3-[4-(2-hydroxyethyl)piperazi…

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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) 2.28 6.28 -19.53 1 7 0 87 398.459 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[2-(5,6-dimethyl-7-oxo-pyrano[3,2-f]benzofuran-3-yl)ethylcarbamoyl]benzoic 2-[2-(5,6-dimethyl-7-oxo-pyrano[…

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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) 3.49 10.86 -78.95 1 7 -1 113 404.398 5 ↓

    Analogs

    1542007
    1542007
    5158323
    5158323

    Draw Identity 99% 90% 80% 70%

    Popular Name: DNC006139 DNC006139

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    AOFA-4-E Monoamine Oxidase A (cluster #4 Of 8), Eukaryotic Eukaryotes 2510 0.41 Binding ≤ 10μM
    ChEMBL Target Annotations
    Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
    AOFA_HUMAN P21397 Monoamine Oxidase A, Human 2510 0.41 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) 1.35 5.25 -51.25 3 5 1 80 260.269 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 6-amino-9-methoxy-3-methyl-furo[3,2-g]chromen-7-one 6-amino-9-methoxy-3-methyl-furo[…

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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) 2.06 4.73 -12.34 2 5 0 79 245.234 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: DNC006140 DNC006140

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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) 0.95 3.46 -55.24 4 6 1 100 273.268 2 ↓

    Analogs

    9049881
    9049881

    Draw Identity 99% 90% 80% 70%

    Popular Name: methyl methyl

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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) 3.36 11.74 -25.34 0 7 0 90 411.454 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(3S,4R)-4-hydroxy-1,1-dioxo-thiolan-3-yl]-2-(2,3,5-trimethyl-7-oxo-furo[3,2-g]chromen-6-yl)acetam N-[(3S,4R)-4-hydroxy-1,1-dioxo-t…

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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) 1.08 3.22 -28.98 2 8 0 127 419.455 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(3R,4R)-4-hydroxy-1,1-dioxo-thiolan-3-yl]-2-(2,3,5-trimethyl-7-oxo-furo[3,2-g]chromen-6-yl)acetam N-[(3R,4R)-4-hydroxy-1,1-dioxo-t…

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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) 1.08 2.74 -29.11 2 8 0 127 419.455 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(3S,4S)-4-hydroxy-1,1-dioxo-thiolan-3-yl]-2-(2,3,5-trimethyl-7-oxo-furo[3,2-g]chromen-6-yl)acetam N-[(3S,4S)-4-hydroxy-1,1-dioxo-t…

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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) 1.08 2.79 -33.24 2 8 0 127 419.455 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(3R,4S)-4-hydroxy-1,1-dioxo-thiolan-3-yl]-2-(2,3,5-trimethyl-7-oxo-furo[3,2-g]chromen-6-yl)acetam N-[(3R,4S)-4-hydroxy-1,1-dioxo-t…

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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) 1.08 2.87 -31.68 2 8 0 127 419.455 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 6-[2-[4-(4-chlorophenyl)-4-hydroxy-1-piperidyl]-2-oxo-ethyl]-3,5-dimethyl-furo[3,2-g]chromen-7-one 6-[2-[4-(4-chlorophenyl)-4-hydro…

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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) 4.60 11.27 -21.8 1 6 0 84 465.933 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%


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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) 6.73 4.54 -12.81 0 3 0 43 380.443 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%


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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) 6.19 4.16 -9.31 0 3 0 43 352.389 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-(4-chlorophenyl)-6-ethyl-5,9-dimethyl-furo[3,2-g]chromen-7-one 3-(4-chlorophenyl)-6-ethyl-5,9-d…

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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) 6.29 4.24 -11.62 0 3 0 43 352.817 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[7-keto-3-(4-methoxyphenyl)-5-methyl-furo[3,2-g]chromen-6-yl]acetate 2-[7-keto-3-(4-methoxyphenyl)-5-…

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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) 3.80 11.08 -58.66 0 6 -1 93 363.345 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [3-(4-fluorophenyl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl]acetic acid [3-(4-fluorophenyl)-5-methyl-7-o…

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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) 3.91 11.84 -57.89 0 5 -1 83 351.309 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[7-keto-3-(4-methoxyphenyl)-5,9-dimethyl-furo[3,2-g]chromen-6-yl]acetate 2-[7-keto-3-(4-methoxyphenyl)-5,…

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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) 4.18 11.71 -59.05 0 6 -1 93 377.372 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%


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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) 7.41 4.93 -12.57 0 3 0 43 394.47 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5,6,9-trimethyl-3-(2-naphthyl)furo[3,2-g]chromen-7-one 5,6,9-trimethyl-3-(2-naphthyl)fu…

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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) 6.33 4.33 -12.14 0 3 0 43 354.405 1 ↓

    Analogs

    11691917
    11691917

    Draw Identity 99% 90% 80% 70%

    Popular Name: 6-hexyl-3-(3-methoxyphenyl)-5,9-dimethyl-furo[3,2-g]chromen-7-one 6-hexyl-3-(3-methoxyphenyl)-5,9-…

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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) 7.60 4.9 -12.45 0 4 0 52 404.506 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%


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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) 6.09 4.94 -9.43 0 3 0 43 312.409 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2-chlorophenyl)-3-(7-keto-3,5-dimethyl-furo[3,2-g]chromen-6-yl)propionamide N-(2-chlorophenyl)-3-(7-keto-3,5…

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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) 5.10 2.7 -16.59 1 5 0 72 395.842 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(7-keto-3,5-dimethyl-furo[3,2-g]chromen-6-yl)propionamide N-[4-chloro-3-(trifluoromethyl)p…

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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) 5.97 4.61 -16.96 1 5 0 72 463.839 5 ↓

    Analogs

    6624087
    6624087

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-[[2-(7-keto-2,3,5-trimethyl-furo[3,2-g]chromen-6-yl)acetyl]amino]-3-methyl-butyrate (2R)-2-[[2-(7-keto-2,3,5-trimeth…

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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) 1.38 2.67 -71.14 1 7 -1 112 384.408 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(3,4-difluorophenyl)-3-(7-keto-2,3,5-trimethyl-furo[3,2-g]chromen-6-yl)propionamide N-(3,4-difluorophenyl)-3-(7-keto…

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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) 4.95 4.18 -20.8 1 5 0 72 411.404 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%


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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) 7.60 4.59 -11.11 0 3 0 43 394.47 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-(4-bromophenyl)-5,9-dimethyl-furo[3,2-g]chromen-7-one 3-(4-bromophenyl)-5,9-dimethyl-f…

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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) 5.58 3.18 -11.2 0 3 0 43 369.214 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2-fluorophenyl)-3-(7-keto-3,5-dimethyl-furo[3,2-g]chromen-6-yl)propionamide N-(2-fluorophenyl)-3-(7-keto-3,5…

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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) 4.59 3.46 -17.25 1 5 0 72 379.387 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(3-butoxypropyl)-3-(7-keto-2,3,5-trimethyl-furo[3,2-g]chromen-6-yl)propionamide N-(3-butoxypropyl)-3-(7-keto-2,3…

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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) 4.69 1.38 -17.53 1 6 0 81 413.514 10 ↓

    Analogs

    8765388
    8765388

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(3,4-dimethoxyphenyl)-3-(7-keto-2,3,5-trimethyl-furo[3,2-g]chromen-6-yl)propionamide N-(3,4-dimethoxyphenyl)-3-(7-ket…

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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) 4.34 3.04 -21.04 1 7 0 90 435.476 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-(7-keto-3,5-dimethyl-furo[3,2-g]chromen-6-yl)-N-veratryl-propionamide 3-(7-keto-3,5-dimethyl-furo[3,2-…

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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) 3.82 2.22 -20.34 1 7 0 90 435.476 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(4-butylphenyl)-3-(7-keto-3,5-dimethyl-furo[3,2-g]chromen-6-yl)propionamide N-(4-butylphenyl)-3-(7-keto-3,5-…

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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) 6.34 3.4 -17.35 1 5 0 72 417.505 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-(7-keto-2,3,5-trimethyl-furo[3,2-g]chromen-6-yl)-N-[4-(trifluoromethoxy)phenyl]propionamide 3-(7-keto-2,3,5-trimethyl-furo[3…

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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) 5.66 4.24 -17.49 1 6 0 81 459.42 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-(7-keto-3,5-dimethyl-furo[3,2-g]chromen-6-yl)-N-(3-methoxypropyl)propionamide 3-(7-keto-3,5-dimethyl-furo[3,2-…

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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 7.82 -17.13 1 6 0 82 357.406 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(4-acetylphenyl)-3-(7-keto-2,3,5-trimethyl-furo[3,2-g]chromen-6-yl)propionamide N-(4-acetylphenyl)-3-(7-keto-2,3…

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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) 4.59 3.08 -24.96 1 6 0 89 417.461 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%


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    Popular Name:

    Find On: PubMed — Wikipedia — Google

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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) 6.22 4.37 -10.94 0 4 0 52 362.425 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-(7-keto-3,5-dimethyl-furo[3,2-g]chromen-6-yl)-N-(p-tolyl)propionamide 3-(7-keto-3,5-dimethyl-furo[3,2-…

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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) 4.92 2.99 -17.65 1 5 0 72 375.424 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-(3,5-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)-N-(2-methoxybenzyl)propanamide 3-(3,5-dimethyl-7-oxo-7H-furo[3,…

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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) 4.18 10.35 -18.29 1 6 0 82 405.45 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-(7-keto-2,3,5-trimethyl-furo[3,2-g]chromen-6-yl)-N-(4-phenoxyphenyl)propionamide 3-(7-keto-2,3,5-trimethyl-furo[3…

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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) 6.45 3.36 -20.1 1 6 0 81 467.521 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(3,5-dimethylphenyl)-3-(7-keto-2,3,5-trimethyl-furo[3,2-g]chromen-6-yl)propionamide N-(3,5-dimethylphenyl)-3-(7-keto…

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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) 5.52 3.34 -18.47 1 5 0 72 403.478 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2,4-difluorophenyl)-3-(7-keto-3,5-dimethyl-furo[3,2-g]chromen-6-yl)propionamide N-(2,4-difluorophenyl)-3-(7-keto…

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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) 4.73 4.19 -16.23 1 5 0 72 397.377 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[[2-[[2-(7-keto-2,3,5-trimethyl-furo[3,2-g]chromen-6-yl)acetyl]amino]acetyl]amino]acetate 2-[[2-[[2-(7-keto-2,3,5-trimethy…

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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) 0.42 -1.09 -55.46 2 9 -1 141 399.379 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(4-benzoxyphenyl)-3-(7-keto-2,3,5-trimethyl-furo[3,2-g]chromen-6-yl)propionamide N-(4-benzoxyphenyl)-3-(7-keto-2,…

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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) 6.35 2.89 -20.3 1 6 0 81 481.548 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-3-(7-keto-2,3,5-trimethyl-furo[3,2-g]chromen-6-yl) N-(3-keto-1,5-dimethyl-2-phenyl-…

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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) 4.08 3.56 -33.56 1 8 0 99 485.54 5 ↓

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    //zinc12.docking.org/results/combination?ring.id=6620&filter.purchasability=annotated

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