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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: 2-[(5-bromonicotinoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic-acid-ethyl-ester 2-[(5-bromonicotinoyl)amino]-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) 3.64 -1.06 -8.66 1 5 0 68 409.305 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (6S)-2-[(5-bromonicotinoyl)amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic-acid-ethyl- (6S)-2-[(5-bromonicotinoyl)amino…

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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) 4.12 -0.69 -8.29 1 5 0 68 423.332 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (6R)-2-[(5-bromonicotinoyl)amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic-acid-ethyl- (6R)-2-[(5-bromonicotinoyl)amino…

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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) 4.12 -0.69 -8.31 1 5 0 68 423.332 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[(5-bromonicotinoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic-acid-methyl-ester 2-[(5-bromonicotinoyl)amino]-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) 3.27 -1.03 -8.97 1 5 0 68 395.278 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (6S)-2-[(5-bromonicotinoyl)amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic-acid-methyl (6S)-2-[(5-bromonicotinoyl)amino…

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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) 3.74 -0.66 -8.61 1 5 0 68 409.305 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (6R)-2-[(5-bromonicotinoyl)amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic-acid-methyl (6R)-2-[(5-bromonicotinoyl)amino…

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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) 3.74 -0.66 -8.63 1 5 0 68 409.305 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-bromo-N-[(6S)-3-carbamoyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]nicotinamide 5-bromo-N-[(6S)-3-carbamoyl-6-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) 2.73 4.28 -10.19 3 5 0 85 394.294 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-bromo-N-[(6R)-3-carbamoyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]nicotinamide 5-bromo-N-[(6R)-3-carbamoyl-6-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) 2.73 4.28 -10.17 3 5 0 85 394.294 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-bromo-N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]nicotinamide 5-bromo-N-[(6S)-3-cyano-6-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) 3.66 -0.35 -6.44 1 4 0 65 376.279 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-bromo-N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]nicotinamide 5-bromo-N-[(6R)-3-cyano-6-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) 3.66 -0.35 -6.43 1 4 0 65 376.279 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) 3.19 -0.21 -10 1 5 0 68 344.436 6 ↓

    Analogs

    39881199
    39881199
    39881342
    39881342
    669309
    669309

    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) 5.41 0.95 -12.78 1 5 0 68 420.962 6 ↓

    Analogs

    39881199
    39881199
    39881342
    39881342
    669309
    669309

    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) 5.41 0.95 -12.77 1 5 0 68 420.962 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: propyl 2-{[(2-chloro-3-pyridinyl)carbonyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate propyl 2-{[(2-chloro-3-pyridinyl…

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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) 4.63 -0.08 -12.44 1 5 0 68 392.908 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: propyl 2-{[(2-chloro-3-pyridinyl)carbonyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate propyl 2-{[(2-chloro-3-pyridinyl…

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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) 4.63 -0.08 -12.45 1 5 0 68 392.908 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[3-[butyl(methyl)carbamoyl]-4,5,6,7-tetrahydrobenzothiophen-2-yl]pyridine-3-carboxamide N-[3-[butyl(methyl)carbamoyl]-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) 2.88 9 -11.69 1 5 0 62 371.506 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[3-(dimethylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]pyridine-3-carboxamide N-[3-(dimethylcarbamoyl)-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) 1.45 6.46 -12.14 1 5 0 62 329.425 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[3-[(2-amino-2-oxo-ethyl)carbamoyl]-4,5,6,7-tetrahydrobenzothiophen-2-yl]pyridine-3-carboxamide N-[3-[(2-amino-2-oxo-ethyl)carba…

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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) 0.40 1.58 -14.54 4 7 0 114 358.423 5 ↓

    Parameters Provided:

    ring.id = 34664
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 = 34664 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

    Permalink

    //zinc12.docking.org/results/combination?ring.id=34664&filter.purchasability=annotated

    Embed Link to Results

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