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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-({[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)benzoic acid 2-({[3-(ethoxycarbonyl)-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) 3.45 11 -59.89 1 6 -1 96 372.422 6 ↓

    Analogs

    1173531
    1173531
    1173532
    1173532

    Draw Identity 99% 90% 80% 70%

    Popular Name: N,N-diethyl-2-(2-fluorobenzoyl)amino-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide N,N-diethyl-2-(2-fluorobenzoyl)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) 5.35 2.09 -13.89 1 4 0 49 430.589 6 ↓

    Analogs

    1173531
    1173531
    1173532
    1173532

    Draw Identity 99% 90% 80% 70%

    Popular Name: N,N-diethyl-2-(2-fluorobenzoyl)amino-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide N,N-diethyl-2-(2-fluorobenzoyl)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) 5.35 12.2 -13.64 1 4 0 49 430.589 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (6S)-2-[(2-bromobenzoyl)amino]-6-tert-butyl-N,N-diethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxami (6S)-2-[(2-bromobenzoyl)amino]-6…

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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) 6.00 12.7 -12.39 1 4 0 49 491.495 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (6R)-2-[(2-bromobenzoyl)amino]-6-tert-butyl-N,N-diethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxami (6R)-2-[(2-bromobenzoyl)amino]-6…

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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) 6.00 12.96 -12.26 1 4 0 49 491.495 6 ↓

    Analogs

    5055631
    5055631

    Draw Identity 99% 90% 80% 70%

    Popular Name: (6R)-6-tert-butyl-2-[(2,6-difluorobenzoyl)amino]-N-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxa (6R)-6-tert-butyl-2-[(2,6-difluo…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    PDE4B-1-E Phosphodiesterase 4B (cluster #1 Of 2), Eukaryotic Eukaryotes 10000 0.25 Binding ≤ 10μM
    ChEMBL Target Annotations
    Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
    PDE4B_HUMAN Q07343 Phosphodiesterase 4B, Human 10000 0.25 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) 4.94 8.34 -14.43 2 4 0 58 406.498 4 ↓

    Analogs

    5055631
    5055631

    Draw Identity 99% 90% 80% 70%

    Popular Name: (6S)-6-tert-butyl-2-[(2,6-difluorobenzoyl)amino]-N-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxa (6S)-6-tert-butyl-2-[(2,6-difluo…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    PDE4B-1-E Phosphodiesterase 4B (cluster #1 Of 2), Eukaryotic Eukaryotes 10000 0.25 Binding ≤ 10μM
    ChEMBL Target Annotations
    Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
    PDE4B_HUMAN Q07343 Phosphodiesterase 4B, Human 10000 0.25 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) 4.94 8.33 -14.41 2 4 0 58 406.498 4 ↓

    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) 5.99 1.11 -9.52 1 4 0 55 450.398 5 ↓

    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) 6.37 1.08 -9.25 1 4 0 55 464.425 6 ↓

    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) 4.65 10.57 -11.32 1 4 0 55 379.428 5 ↓

    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) 4.65 10.57 -11.33 1 4 0 55 379.428 5 ↓

    Analogs

    23304915
    23304915
    23304916
    23304916

    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) 5.16 11.2 -9.37 1 4 0 55 393.455 6 ↓

    Analogs

    23304915
    23304915
    23304916
    23304916

    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) 5.16 11.2 -11.31 1 4 0 55 393.455 6 ↓

    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) 5.16 11.24 -11.16 1 4 0 55 393.455 6 ↓

    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) 5.16 11.24 -11.2 1 4 0 55 393.455 6 ↓

    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) 5.49 11.15 -12.22 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) 5.49 11.15 -12.26 1 5 0 65 401.528 8 ↓

    Analogs

    23304915
    23304915
    23304916
    23304916

    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) 5.72 11.97 -11.22 1 4 0 55 407.482 7 ↓

    Analogs

    23304915
    23304915
    23304916
    23304916

    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) 5.72 11.97 -11.22 1 4 0 55 407.482 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) 5.69 11.82 -13.42 1 4 0 55 407.482 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) 5.69 11.81 -13.38 1 4 0 55 407.482 7 ↓

    Analogs

    2086437
    2086437
    4713592
    4713592

    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) 4.85 1.17 -11.13 1 7 0 101 422.89 6 ↓

    Analogs

    786517
    786517

    Draw Identity 99% 90% 80% 70%

    Popular Name: isopropyl isopropyl

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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) 4.85 1.11 -13.99 1 7 0 101 422.89 6 ↓

    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) 6.18 12.46 -13.42 1 4 0 55 417.546 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) 6.18 12.46 -13.4 1 4 0 55 417.546 7 ↓

    Analogs

    12854190
    12854190
    1518458
    1518458

    Draw Identity 99% 90% 80% 70%

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

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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) 2.74 5.86 -15.04 3 5 0 96 339.42 3 ↓

    Analogs

    12854185
    12854185
    1518458
    1518458

    Draw Identity 99% 90% 80% 70%

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

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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) 2.74 5.86 -15.07 3 5 0 96 339.42 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[(2-chloro-4-fluoro-benzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide 2-[(2-chloro-4-fluoro-benzoyl)am…

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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) 3.30 5.44 -11.53 3 4 0 72 352.818 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3,5-dibromo-N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-methoxy-benzamide 3,5-dibromo-N-[(6S)-3-cyano-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) 6.03 10.95 -6.92 1 4 0 62 484.213 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3,5-dibromo-N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-methoxy-benzamide 3,5-dibromo-N-[(6R)-3-cyano-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) 6.03 10.93 -6.91 1 4 0 62 484.213 3 ↓

    Analogs

    669659
    669659
    674463
    674463

    Draw Identity 99% 90% 80% 70%

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

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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) 4.33 9.52 -10.12 1 4 0 55 394.29 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-bromo-N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-3,4,5-trimethoxy-benzamide 2-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) 4.51 1.57 -8.55 1 6 0 80 465.369 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-bromo-N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-3,4,5-trimethoxy-benzamide 2-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) 4.51 1.57 -8.57 1 6 0 80 465.369 5 ↓

    Analogs

    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) 2.76 5.66 -16.02 2 7 0 102 408.501 6 ↓
    Hi High (pH 8-9.5) 2.76 5.76 -43.1 1 7 -1 104 407.493 6 ↓

    Analogs

    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) 3.16 6.4 -19.48 2 7 0 102 422.528 6 ↓
    Hi High (pH 8-9.5) 3.16 6.49 -46.86 1 7 -1 104 421.52 6 ↓

    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) 3.53 7.35 -16.14 2 7 0 102 436.555 7 ↓
    Hi High (pH 8-9.5) 3.53 7.42 -39.31 1 7 -1 104 435.547 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[[4-[(1S)-2-isobutoxy-2-keto-1-methyl-ethoxy]benzoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-car 2-[[4-[(1S)-2-isobutoxy-2-keto-1…

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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 2.37 -13.63 1 7 0 90 473.591 11 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[[4-[(1R)-2-isobutoxy-2-keto-1-methyl-ethoxy]benzoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-car 2-[[4-[(1R)-2-isobutoxy-2-keto-1…

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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 2.36 -14.45 1 7 0 90 473.591 11 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (6S)-2-[[4-[(1S)-2-isopropoxy-2-keto-1-methyl-ethoxy]benzoyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzo (6S)-2-[[4-[(1S)-2-isopropoxy-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) 5.42 2.59 -13.69 1 7 0 90 473.591 10 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (6R)-2-[[4-[(1S)-2-isopropoxy-2-keto-1-methyl-ethoxy]benzoyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzo (6R)-2-[[4-[(1S)-2-isopropoxy-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) 5.42 2.59 -13.75 1 7 0 90 473.591 10 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (6S)-2-[[4-[(1R)-2-isopropoxy-2-keto-1-methyl-ethoxy]benzoyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzo (6S)-2-[[4-[(1R)-2-isopropoxy-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) 5.42 2.59 -13.71 1 7 0 90 473.591 10 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (6R)-2-[[4-[(1R)-2-isopropoxy-2-keto-1-methyl-ethoxy]benzoyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzo (6R)-2-[[4-[(1R)-2-isopropoxy-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) 5.42 2.59 -13.69 1 7 0 90 473.591 10 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[[4-[(1S)-2-hydrazino-2-keto-1-methyl-ethoxy]benzoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-car 2-[[4-[(1S)-2-hydrazino-2-keto-1…

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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) 0.61 -9.11 -20.9 6 8 0 136 402.476 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[[4-[(1R)-2-hydrazino-2-keto-1-methyl-ethoxy]benzoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-car 2-[[4-[(1R)-2-hydrazino-2-keto-1…

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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) 0.61 -9.11 -22.04 6 8 0 136 402.476 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (6S)-2-[(4-hydroxybenzoyl)amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide (6S)-2-[(4-hydroxybenzoyl)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) 2.53 -5.06 -12.16 4 5 0 92 330.409 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (6R)-2-[(4-hydroxybenzoyl)amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide (6R)-2-[(4-hydroxybenzoyl)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) 2.53 -5.06 -12.37 4 5 0 92 330.409 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[(4-hydroxybenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide 2-[(4-hydroxybenzoyl)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) 2.06 -5.43 -12.47 4 5 0 92 316.382 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (6S)-N-(3-hydroxypropyl)-6-methyl-2-[(3,4,5-trimethoxybenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophen (6S)-N-(3-hydroxypropyl)-6-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) 2.65 -4.16 -14.08 3 8 0 106 462.568 9 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (6R)-N-(3-hydroxypropyl)-6-methyl-2-[(3,4,5-trimethoxybenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophen (6R)-N-(3-hydroxypropyl)-6-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) 2.65 -4.16 -14.22 3 8 0 106 462.568 9 ↓

    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) 6.05 0.85 -8.04 1 4 0 55 426.365 5 ↓

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    //zinc12.docking.org/results/combination?ring.id=1332&filter.purchasability=annotated

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