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

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[[2-(2-chloro-4-cyano-phenoxy)acetyl]amino]-N-(2-methoxyethyl)-4,5,6,7-tetrahydrobenzothiophene-3- 2-[[2-(2-chloro-4-cyano-phenoxy)…

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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) 3.22 7.68 -18.76 2 7 0 100 447.944 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(4-bromo-2-fluoro-phenoxy)-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)acetamide 2-(4-bromo-2-fluoro-phenoxy)-N-(…

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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 9.76 -14.75 1 4 0 62 409.28 4 ↓

    Analogs

    36213648
    36213648
    9437892
    9437892
    9437893
    9437893

    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) 3.34 10.15 -18 1 7 0 98 414.483 7 ↓

    Analogs

    36213645
    36213645
    9437892
    9437892
    9437893
    9437893

    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) 3.34 10.15 -18.05 1 7 0 98 414.483 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: ethyl 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) 5.23 12.17 -13.17 1 5 0 65 401.528 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: ethyl 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) 5.23 12.22 -13.04 1 5 0 65 401.528 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: ethyl 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) 5.23 12.16 -13.16 1 5 0 65 401.528 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: ethyl 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) 5.23 12.16 -13.04 1 5 0 65 401.528 8 ↓

    Analogs

    4185204
    4185204

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-N-(3-methoxypropyl)-4,5,6,7-tetrahydrobenzothiophene-3-carb 2-[[2-(2,6-dimethylphenoxy)acety…

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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 8.98 -13.57 2 6 0 77 430.57 9 ↓

    Analogs

    40851426
    40851426
    40851429
    40851429
    40853051
    40853051
    40853054
    40853054

    Draw Identity 99% 90% 80% 70%

    Popular Name: (6S)-2-[[2-(4-isopropylphenoxy)acetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide (6S)-2-[[2-(4-isopropylphenoxy)a…

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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) 4.49 -2.32 -14.16 3 5 0 81 386.517 6 ↓

    Analogs

    40853051
    40853051
    40853054
    40853054

    Draw Identity 99% 90% 80% 70%

    Popular Name: (6R)-2-[[2-(4-isopropylphenoxy)acetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide (6R)-2-[[2-(4-isopropylphenoxy)a…

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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) 4.49 -2.32 -14.18 3 5 0 81 386.517 6 ↓

    Analogs

    1944505
    1944505
    1944506
    1944506
    1944575
    1944575
    1944576
    1944576
    1944581
    1944581

    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) 4.82 1.62 -12.56 1 5 0 64 387.501 6 ↓

    Analogs

    1944505
    1944505
    1944506
    1944506
    1944575
    1944575
    1944576
    1944576
    1944581
    1944581

    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) 4.82 1.62 -12.51 1 5 0 64 387.501 6 ↓

    Analogs

    17099347
    17099347
    17099348
    17099348
    655998
    655998
    656001
    656001

    Draw Identity 99% 90% 80% 70%

    Popular Name: (6S)-2-[[2-(4-chloro-2-methyl-phenoxy)acetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carb (6S)-2-[[2-(4-chloro-2-methyl-ph…

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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) 4.03 -2.88 -14.1 3 5 0 81 392.908 5 ↓

    Analogs

    17099347
    17099347
    17099348
    17099348
    655998
    655998
    656001
    656001

    Draw Identity 99% 90% 80% 70%

    Popular Name: (6R)-2-[[2-(4-chloro-2-methyl-phenoxy)acetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carb (6R)-2-[[2-(4-chloro-2-methyl-ph…

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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) 4.03 -2.88 -14.23 3 5 0 81 392.908 5 ↓

    Analogs

    1944599
    1944599
    1944600
    1944600

    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) 5.05 1.15 -12.49 1 5 0 64 407.919 6 ↓

    Analogs

    1944510
    1944510
    1944599
    1944599
    1944600
    1944600

    Draw Identity 99% 90% 80% 70%


    Notice: Undefined index: field_name in /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php on line 244

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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) 5.05 1.15 -12.47 1 5 0 64 407.919 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[[2-(4-isopropyl-3-methyl-phenoxy)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide 2-[[2-(4-isopropyl-3-methyl-phen…

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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) 3.92 7.78 -14.33 3 5 0 81 386.517 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[[2-(4-isopropyl-3-methyl-phenoxy)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic-acid 2-[[2-(4-isopropyl-3-methyl-phen…

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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) 4.93 1.63 -12.95 1 5 0 64 401.528 7 ↓

    Analogs

    622360
    622360

    Draw Identity 99% 90% 80% 70%

    Popular Name: (6S)-2-[[2-(4-isopropyl-3-methyl-phenoxy)acetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-c (6S)-2-[[2-(4-isopropyl-3-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) 4.39 -2.03 -14.24 3 5 0 81 400.544 6 ↓

    Analogs

    622360
    622360

    Draw Identity 99% 90% 80% 70%

    Popular Name: (6R)-2-[[2-(4-isopropyl-3-methyl-phenoxy)acetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-c (6R)-2-[[2-(4-isopropyl-3-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) 4.39 -2.03 -14.32 3 5 0 81 400.544 6 ↓

    Analogs

    1284338
    1284338
    1284552
    1284552
    2609820
    2609820
    2609821
    2609821
    5710309
    5710309

    Draw Identity 99% 90% 80% 70%

    Popular Name: benzo[b]thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[[(4-nitrophenoxy)acetyl]amino]-, methyl ester benzo[b]thiophene-3-carboxylic a…

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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 1.06 -17.34 1 8 0 110 390.417 7 ↓

    Analogs

    1268364
    1268364
    1268365
    1268365
    1959816
    1959816
    1959817
    1959817
    2773606
    2773606

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-(3-methylphenoxy)acetamide N-[(6S)-3-cyano-6-methyl-4,5,6,7…

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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 1.55 -10.35 1 4 0 62 340.448 4 ↓

    Analogs

    1268364
    1268364
    1268365
    1268365
    1959816
    1959816
    1959817
    1959817
    2773606
    2773606

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-(3-methylphenoxy)acetamide N-[(6R)-3-cyano-6-methyl-4,5,6,7…

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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 1.55 -10.34 1 4 0 62 340.448 4 ↓

    Analogs

    2773606
    2773606
    2773607
    2773607

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-(3,5-dimethylphenoxy)acetamide N-[(6S)-3-cyano-6-methyl-4,5,6,7…

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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) 4.74 1.87 -10.25 1 4 0 62 354.475 4 ↓

    Analogs

    1268364
    1268364
    1268365
    1268365
    2773606
    2773606
    2773607
    2773607

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-(3,5-dimethylphenoxy)acetamide N-[(6R)-3-cyano-6-methyl-4,5,6,7…

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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) 4.74 1.87 -10.25 1 4 0 62 354.475 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(3-chlorophenoxy)-N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]acetamide 2-(3-chlorophenoxy)-N-[(6S)-3-cy…

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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) 4.57 1.08 -11.35 1 4 0 62 360.866 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(3-chlorophenoxy)-N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]acetamide 2-(3-chlorophenoxy)-N-[(6R)-3-cy…

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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) 4.57 1.08 -11.34 1 4 0 62 360.866 4 ↓

    Analogs

    1959825
    1959825
    1959827
    1959827
    1959854
    1959854
    1959856
    1959856

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(2-tert-butylphenoxy)-N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]acetamide 2-(2-tert-butylphenoxy)-N-[(6S)-…

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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) 5.57 12.19 -9.01 1 4 0 62 382.529 5 ↓

    Analogs

    1959825
    1959825
    1959827
    1959827
    1959854
    1959854
    1959856
    1959856

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(2-tert-butylphenoxy)-N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]acetamide 2-(2-tert-butylphenoxy)-N-[(6R)-…

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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) 5.57 2.72 -9.15 1 4 0 62 382.529 5 ↓

    Analogs

    695580
    695580

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-(2-nitrophenoxy)acetamide N-[(6S)-3-cyano-6-methyl-4,5,6,7…

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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) 3.83 2.07 -20.58 1 7 0 107 371.418 5 ↓

    Analogs

    695580
    695580

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-(2-nitrophenoxy)acetamide N-[(6R)-3-cyano-6-methyl-4,5,6,7…

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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) 3.83 2.07 -20.58 1 7 0 107 371.418 5 ↓

    Analogs

    1959825
    1959825
    1959827
    1959827
    1959832
    1959832
    1959835
    1959835
    6706945
    6706945

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-(2,4-dimethylphenoxy)acetamide N-[(6S)-3-cyano-6-methyl-4,5,6,7…

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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) 4.74 1.93 -9.99 1 4 0 62 354.475 4 ↓

    Analogs

    1959825
    1959825
    1959827
    1959827
    1959832
    1959832
    1959835
    1959835
    6706945
    6706945

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-(2,4-dimethylphenoxy)acetamide N-[(6R)-3-cyano-6-methyl-4,5,6,7…

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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) 4.74 1.93 -9.97 1 4 0 62 354.475 4 ↓

    Analogs

    1959799
    1959799
    1959800
    1959800
    1959837
    1959837
    1959850
    1959850
    1959852
    1959852

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(2-bromophenoxy)-N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]acetamide 2-(2-bromophenoxy)-N-[(6S)-3-cya…

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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) 4.68 0.53 -11.97 1 4 0 62 405.317 4 ↓

    Analogs

    1959799
    1959799
    1959800
    1959800
    1959837
    1959837
    1959850
    1959850
    1959852
    1959852

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(2-bromophenoxy)-N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]acetamide 2-(2-bromophenoxy)-N-[(6R)-3-cya…

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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) 4.68 0.53 -11.99 1 4 0 62 405.317 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-(4-isopropyl-3-methyl-phenoxy)aceta N-[(6S)-3-cyano-6-methyl-4,5,6,7…

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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) 5.33 2.31 -9.98 1 4 0 62 382.529 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-(4-isopropyl-3-methyl-phenoxy)aceta N-[(6R)-3-cyano-6-methyl-4,5,6,7…

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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) 5.33 2.31 -9.97 1 4 0 62 382.529 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: benzo[b]thiophene-3-carboxylic acid, 2-[[2-(4-chlorophenoxy)-1-oxopropyl]amino]-4,5,6,7-tetrahydro-, methyl ester benzo[b]thiophene-3-carboxylic a…

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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) 4.56 10.53 -12.08 1 5 0 65 393.892 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: benzo[b]thiophene-3-carboxylic acid, 2-[[2-(4-chlorophenoxy)-1-oxopropyl]amino]-4,5,6,7-tetrahydro-, methyl ester benzo[b]thiophene-3-carboxylic a…

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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) 4.56 10.52 -12.05 1 5 0 65 393.892 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[[(2S)-2-(3-bromophenoxy)propanoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic-acid-methy 2-[[(2S)-2-(3-bromophenoxy)propa…

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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) 4.67 0.09 -11.21 1 5 0 64 438.343 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[[(2R)-2-(3-bromophenoxy)propanoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic-acid-methy 2-[[(2R)-2-(3-bromophenoxy)propa…

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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) 4.67 0.09 -11.2 1 5 0 64 438.343 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (6S)-2-[[(2R)-2-(3-bromophenoxy)propanoyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxy (6S)-2-[[(2R)-2-(3-bromophenoxy)…

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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 0.42 -10.58 1 5 0 64 466.397 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (6R)-2-[[(2R)-2-(3-bromophenoxy)propanoyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxy (6R)-2-[[(2R)-2-(3-bromophenoxy)…

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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 0.43 -10.69 1 5 0 64 466.397 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (6S)-2-[[(2S)-2-(3-bromophenoxy)propanoyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxy (6S)-2-[[(2S)-2-(3-bromophenoxy)…

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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 0.43 -10.7 1 5 0 64 466.397 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (6R)-2-[[(2S)-2-(3-bromophenoxy)propanoyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxy (6R)-2-[[(2S)-2-(3-bromophenoxy)…

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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 0.48 -10.61 1 5 0 64 466.397 7 ↓

    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) 5.54 0.52 -14.62 1 5 0 64 442.364 7 ↓

    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) 5.23 1.26 -11.58 1 5 0 64 401.528 8 ↓

    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) 5.23 1.28 -11.61 1 5 0 64 401.528 8 ↓

    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) 5.23 1.33 -11.66 1 5 0 64 401.528 8 ↓

    Parameters Provided:

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    //zinc12.docking.org/results/combination?ring.id=34656&filter.purchasability=annotated

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