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

    Analogs

    25142043
    25142043
    25142045
    25142045

    Draw Identity 99% 90% 80% 70%

    Popular Name: (6S)-2-benzamido-6-cyano-6-phenyl-5,7-dihydro-4H-benzothiophene-3-carboxylic-acid-ethyl-ester (6S)-2-benzamido-6-cyano-6-pheny…

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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 2.46 -14.11 1 5 0 79 430.529 6 ↓

    Analogs

    25142043
    25142043
    25142045
    25142045

    Draw Identity 99% 90% 80% 70%

    Popular Name: (6R)-2-benzamido-6-cyano-6-phenyl-5,7-dihydro-4H-benzothiophene-3-carboxylic-acid-ethyl-ester (6R)-2-benzamido-6-cyano-6-pheny…

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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 2.46 -14.14 1 5 0 79 430.529 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (6S)-2-acetamido-6-cyano-6-phenyl-5,7-dihydro-4H-benzothiophene-3-carboxylic-acid-ethyl-ester (6S)-2-acetamido-6-cyano-6-pheny…

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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) 3.43 2.11 -15.78 1 5 0 79 368.458 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (6R)-2-acetamido-6-cyano-6-phenyl-5,7-dihydro-4H-benzothiophene-3-carboxylic-acid-ethyl-ester (6R)-2-acetamido-6-cyano-6-pheny…

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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) 3.43 2.13 -15.74 1 5 0 79 368.458 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (6S)-6-cyano-2-(2-furoylamino)-6-phenyl-5,7-dihydro-4H-benzothiophene-3-carboxylic-acid-ethyl-ester (6S)-6-cyano-2-(2-furoylamino)-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) 4.36 2.74 -14.56 1 6 0 92 420.49 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (6R)-6-cyano-2-(2-furoylamino)-6-phenyl-5,7-dihydro-4H-benzothiophene-3-carboxylic-acid-ethyl-ester (6R)-6-cyano-2-(2-furoylamino)-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) 4.36 2.74 -16.07 1 6 0 92 420.49 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (6S)-6-cyano-6-phenyl-2-[(2-phenylacetyl)amino]-5,7-dihydro-4H-benzothiophene-3-carboxylic-acid-ethy (6S)-6-cyano-6-phenyl-2-[(2-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) 5.20 2.46 -15.12 1 5 0 79 444.556 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (6R)-6-cyano-6-phenyl-2-[(2-phenylacetyl)amino]-5,7-dihydro-4H-benzothiophene-3-carboxylic-acid-ethy (6R)-6-cyano-6-phenyl-2-[(2-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) 5.20 2.46 -15.11 1 5 0 79 444.556 7 ↓

    Analogs

    1959029
    1959029
    33579868
    33579868
    33783063
    33783063

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[[2-(phenylthio)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic-acid-ethyl-ester 2-[[2-(phenylthio)acetyl]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) 4.27 -0.27 -11.42 1 4 0 55 375.515 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(3-benzoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-4-nitro-benzamide N-(3-benzoyl-4,5,6,7-tetrahydrob…

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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) 5.13 0.72 -11.56 1 6 0 91 406.463 5 ↓

    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

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-amino-3-methyl-N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-thioxo-thiazole-5-ca 4-amino-3-methyl-N-[3-(methylcar…

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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) 1.54 -6.62 -14.96 4 6 0 89 382.536 3 ↓

    Analogs

    51726363
    51726363

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5-methyl-2-furyl)-(4,5,6,7-tetrahydrobenzothiophen-2-yl)methanone (5-methyl-2-furyl)-(4,5,6,7-tetr…

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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) 3.95 8.67 -7.49 0 2 0 30 246.331 2 ↓

    Analogs

    40169824
    40169824
    40169826
    40169826
    40169849
    40169849
    40169850
    40169850
    40170140
    40170140

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[2-(1,7,8-triazabicyclo[4.3.0]nona-2,4,6,8-tetraen-9-ylsulfanyl)acetyl]amino-4,5,6,7-tetrahydroben 2-[2-(1,7,8-triazabicyclo[4.3.0]…

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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) 2.19 -3.68 -19.24 3 7 0 102 387.49 5 ↓

    Analogs

    6583334
    6583334
    6583340
    6583340
    8075642
    8075642
    13744868
    13744868
    13744870
    13744870

    Draw Identity 99% 90% 80% 70%

    Popular Name: [4-(2-pyridyl)piperazin-1-yl]-(4,5,6,7-tetrahydrobenzothiophen-2-yl)methanone [4-(2-pyridyl)piperazin-1-yl]-(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) 3.14 -2.66 -37.79 1 4 1 37 328.461 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(3-furylmethyleneamino)-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile 2-(3-furylmethyleneamino)-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) 3.06 7.1 -11.22 0 3 0 49 256.33 2 ↓

    Analogs

    4820947
    4820947

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-(4-fluorophenyl)-N'-(4,5,6,7-tetrahydrobenzothiophene-3-carbonyl)furan-2-carbohydrazide 5-(4-fluorophenyl)-N'-(4,5,6,7-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) 4.03 8.75 -10.82 2 5 0 71 384.432 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N'-[3-(5-methyl-2-furyl)propanoyl]-4,5,6,7-tetrahydrobenzothiophene-3-carbohydrazide N'-[3-(5-methyl-2-furyl)propanoy…

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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 7.35 -11.01 2 5 0 71 332.425 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2,5-dimethyl-3-furyl)-(4,5,6,7-tetrahydrobenzothiophen-2-yl)methanone (2,5-dimethyl-3-furyl)-(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) 3.86 9.13 -7.39 0 2 0 30 260.358 2 ↓

    Analogs

    5780020
    5780020
    3358305
    3358305
    3358307
    3358307

    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) 2.60 -0.33 -32.39 1 6 0 80 406.529 7 ↓

    Analogs

    3358305
    3358305
    3358307
    3358307

    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) 2.60 -0.33 -32.07 1 6 0 80 406.529 7 ↓

    Analogs

    26856109
    26856109
    568033
    568033
    6573882
    6573882

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(2-chlorophenyl)-3-(4,5,6,7-tetrahydrobenzothiophene-3-carbonylamino)thiourea 1-(2-chlorophenyl)-3-(4,5,6,7-te…

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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) 3.54 9.52 -12.91 3 4 0 53 365.911 5 ↓

    Analogs

    6011015
    6011015
    6395277
    6395277
    5712706
    5712706
    5755906
    5755906

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoylmethyl (3-carbamoyl-4,5,6,7-tetrahydrob…

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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) 1.81 -2.48 -13.27 3 6 0 98 324.402 7 ↓

    Analogs

    6809927
    6809927
    6809833
    6809833

    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) 4.92 11.03 -13.99 1 5 0 69 417.914 5 ↓

    Analogs

    6809833
    6809833
    6809927
    6809927

    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) 5.30 11.32 -13.97 1 5 0 69 431.941 5 ↓

    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

    33673518
    33673518
    33673519
    33673519
    33678294
    33678294
    33678295
    33678295
    33685810
    33685810

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-methyl-N-[6-methyl-3-[(4-methyl-1-piperidyl)carbonyl]-4,5,6,7-tetrahydrobenzothiophen-2-yl]-benzam 2-methyl-N-[6-methyl-3-[(4-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) 4.71 -0.27 -9.94 1 4 0 49 410.583 3 ↓

    Analogs

    33673518
    33673518
    33673519
    33673519
    33678294
    33678294
    33678295
    33678295
    33683372
    33683372

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-methyl-N-[6-methyl-3-[(4-methyl-1-piperidyl)carbonyl]-4,5,6,7-tetrahydrobenzothiophen-2-yl]-benzam 2-methyl-N-[6-methyl-3-[(4-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) 4.71 12.2 -9.91 1 4 0 49 410.583 3 ↓

    Analogs

    33721488
    33721488
    33721490
    33721490
    33766809
    33766809
    33766810
    33766810
    33766811
    33766811

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-methyl-N-[6-methyl-3-(1-piperidylcarbonyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-benzamide 3-methyl-N-[6-methyl-3-(1-piperi…

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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 -0.56 -10.67 1 4 0 49 396.556 3 ↓

    Analogs

    33721488
    33721488
    33721490
    33721490
    33766809
    33766809
    33766810
    33766810
    33766811
    33766811

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-methyl-N-[6-methyl-3-(1-piperidylcarbonyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-benzamide 3-methyl-N-[6-methyl-3-(1-piperi…

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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 11.57 -10.58 1 4 0 49 396.556 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-methyl-N-[3-(1-piperidylcarbonyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-benzamide 3-methyl-N-[3-(1-piperidylcarbon…

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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) 4.01 10.96 -10.94 1 4 0 49 382.529 3 ↓

    Analogs

    26477645
    26477645

    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) 2.69 -5.22 -15.42 3 6 0 97 376.507 5 ↓

    Analogs

    26477645
    26477645

    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) 2.69 -5.21 -15.32 3 6 0 97 376.507 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) 2.65 -2.92 -11.55 3 4 0 72 324.405 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) 3.07 -1.38 -7.08 1 3 0 38 293.432 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) 3.07 -1.38 -7.11 1 3 0 38 293.432 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) 3.07 -1.8 -7.43 1 3 0 38 293.432 3 ↓

    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) 3.07 -1.8 -7.42 1 3 0 38 293.432 3 ↓

    Analogs

    16246474
    16246474
    16620007
    16620007

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(ethyl-oxo-BLAHyl)sulfanyl-acetamide N-(3-cyano-4,5,6,7-tetrahydroben…

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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) 4.21 -1.39 -14.68 1 6 0 87 470.645 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-({5-[(4-chloroanilino)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)acetamide 2-({5-[(4-chloroanilino)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) 4.24 -1.26 -12.85 2 7 0 95 487.054 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[[4-ethyl-5-[(4-methylphenoxy)methyl]-1,2,4-triaz N-(3-cyano-4,5,6,7-tetrahydroben…

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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) 4.40 0.87 -14.38 1 7 0 92 467.62 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[[4-ethyl-5-[(4-methoxyphenoxy)methyl]-1,2,4-tria N-(3-cyano-4,5,6,7-tetrahydroben…

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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) 4.01 0.55 -15.56 1 8 0 102 483.619 9 ↓

    Analogs

    16633557
    16633557

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]su N-(3-cyano-4,5,6,7-tetrahydroben…

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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) 3.96 0.52 -14.26 1 7 0 92 453.593 8 ↓

    Analogs

    39763024
    39763024
    39965511
    39965511
    39965512
    39965512
    39965524
    39965524
    39965526
    39965526

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[[4-ethyl-5-(4-hydroxyphenyl)-1,2,4-triazol-3-yl] N-(3-cyano-4,5,6,7-tetrahydroben…

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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) 3.84 9.39 -15.19 2 7 0 104 439.566 6 ↓

    Analogs

    39745533
    39745533
    39967803
    39967803

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfan N-(3-cyano-4,5,6,7-tetrahydroben…

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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 10.47 -14.41 1 7 0 97 424.555 6 ↓

    Analogs

    16633578
    16633578
    39967137
    39967137
    39967138
    39967138
    39967281
    39967281
    39967282
    39967282

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[2-[[4-ethyl-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino-4,5,6,7-tetrahy 2-[2-[[4-ethyl-5-[(3-methoxyphen…

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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) 3.05 -3.77 -20.3 3 9 0 121 501.634 10 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[2-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino-4,5,6,7-tetrahydrobenzothi 2-[2-[[4-ethyl-5-(phenoxymethyl)…

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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) 3.02 -3.81 -17.6 3 8 0 112 471.608 9 ↓

    Analogs

    16633578
    16633578

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[2-[[4-ethyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino-4,5,6,7-tetrahyd 2-[2-[[4-ethyl-5-[(2-methylpheno…

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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) 3.42 -3.38 -17.77 3 8 0 112 485.635 9 ↓

    Analogs

    39967625
    39967625
    39967626
    39967626
    2616564
    2616564

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino-4,5,6,7-tetrahydrobenzothiophene-3- 2-[2-[(5-benzyl-4-ethyl-1,2,4-tr…

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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) 3.33 -3.37 -17.19 3 7 0 102 455.609 8 ↓

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