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

    Analogs

    10697075
    10697075
    10697081
    10697081
    10700982
    10700982

    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) 6.15 13.06 -11.35 1 4 0 55 413.583 8 ↓

    Analogs

    10697075
    10697075
    10697081
    10697081
    10700982
    10700982

    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) 6.15 13.07 -11.33 1 4 0 55 413.583 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) 6.70 13.76 -10.16 1 4 0 55 413.583 9 ↓

    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) 6.70 13.77 -10.25 1 4 0 55 413.583 9 ↓

    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) 6.70 13.78 -10.23 1 4 0 55 413.583 9 ↓

    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) 6.70 13.8 -10.25 1 4 0 55 413.583 9 ↓

    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) 3.82 9.51 -9.42 1 5 0 59 386.517 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) 3.82 9.55 -9.42 1 5 0 59 386.517 7 ↓

    Analogs

    4194460
    4194460

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[[(2S)-2-acetoxy-2-phenyl-acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic-acid-ethyl-e 2-[[(2S)-2-acetoxy-2-phenyl-acet…

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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) 3.87 1.85 -13.12 1 6 0 81 401.484 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: acetic-acid-[(1S)-2-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-keto-1-phenyl-ethyl]-est acetic-acid-[(1S)-2-[(3-cyano-4,…

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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) 3.41 2.2 -10.56 1 5 0 79 354.431 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: acetic-acid-[(1R)-2-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-keto-1-phenyl-ethyl]-est acetic-acid-[(1R)-2-[(3-cyano-4,…

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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) 3.41 2.22 -10.12 1 5 0 79 354.431 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: ethyl 6-tert-butyl-2-{[(4-fluorophenyl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate ethyl 6-tert-butyl-2-{[(4-fluoro…

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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) 5.98 2.53 -11.52 1 4 0 55 417.546 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: ethyl 6-tert-butyl-2-{[(4-fluorophenyl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate ethyl 6-tert-butyl-2-{[(4-fluoro…

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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) 5.98 2.53 -11.53 1 4 0 55 417.546 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: propyl 2-{[(4-methoxyphenyl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate propyl 2-{[(4-methoxyphenyl)acet…

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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) 4.58 0.6 -12.37 1 5 0 64 387.501 8 ↓

    Analogs

    5474178
    5474178

    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) 5.30 0.23 -12.5 1 4 0 55 412.338 6 ↓

    Analogs

    2105121
    2105121
    648097
    648097

    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) 5.30 0.19 -10.84 1 4 0 55 412.338 6 ↓

    Analogs

    2792447
    2792447

    Draw Identity 99% 90% 80% 70%

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

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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) 5.76 12.34 -12.51 1 5 0 71 440.609 8 ↓

    Analogs

    2792446
    2792446

    Draw Identity 99% 90% 80% 70%

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

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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) 5.76 12.34 -12.49 1 5 0 71 440.609 8 ↓

    Analogs

    5268054
    5268054
    10700766
    10700766
    13963107
    13963107
    142299
    142299

    Draw Identity 99% 90% 80% 70%

    Popular Name: benzo[b]thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[[(2-methylphenyl)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) 4.04 10.09 -11.01 1 4 0 55 343.448 5 ↓

    Analogs

    25493274
    25493274
    25493277
    25493277
    5268005
    5268005
    10700483
    10700483
    13963083
    13963083

    Draw Identity 99% 90% 80% 70%

    Popular Name: benzo[b]thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[[(2-methylphenyl)acetyl]amino]-, ethyl 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) 4.42 11.02 -10.72 1 4 0 55 357.475 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: benzo[b]thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[[2-[4-(2-methylpropyl)phenyl]-1-oxopropyl]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) 5.74 12.8 -9.78 1 4 0 55 399.556 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: benzo[b]thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[[2-[4-(2-methylpropyl)phenyl]-1-oxopropyl]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) 5.74 12.8 -9.7 1 4 0 55 399.556 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: benzo[b]thiophene-3-carboxamide, 4,5,6,7-tetrahydro-2-[[2-[4-(2-methylpropyl)phenyl]-1-oxopropyl]amino]- benzo[b]thiophene-3-carboxamide,…

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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 8.75 -11.42 3 4 0 72 384.545 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: benzo[b]thiophene-3-carboxamide, 4,5,6,7-tetrahydro-2-[[2-[4-(2-methylpropyl)phenyl]-1-oxopropyl]amino]- benzo[b]thiophene-3-carboxamide,…

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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 8.75 -11.4 3 4 0 72 384.545 6 ↓

    Parameters Provided:

    ring.id = 34654
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 = 34654 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

    Permalink

    //zinc12.docking.org/results/combination?ring.id=34654&filter.purchasability=annotated

    Embed Link to Results

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