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    • Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-bromo-N-(7-keto-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-2-yl)benzamide 3-bromo-N-(7-keto-5,5-dimethyl-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) 4.14 -1.31 -11.73 1 4 0 59 379.279 2 ↓

    Analogs

    4889859
    4889859
    204289
    204289

    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) 3.39 -0.51 -14.26 1 6 0 77 360.435 4 ↓

    Analogs

    6304626
    6304626
    6388196
    6388196

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(7-keto-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-2-yl)-4-phenoxy-benzamide N-(7-keto-5,5-dimethyl-4,6-dihyd…

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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) 5.11 0.11 -14.07 1 5 0 68 392.48 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-(diethylsulfamoyl)-N-(7-keto-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-2-yl)benzamide 4-(diethylsulfamoyl)-N-(7-keto-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) 3.42 -4.16 -18.05 1 7 0 96 435.571 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-(dimethylsulfamoyl)-N-(7-keto-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-2-yl)benzamide 4-(dimethylsulfamoyl)-N-(7-keto-…

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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) 2.67 -4.52 -18.32 1 7 0 96 407.517 4 ↓

    Analogs

    36633005
    36633005
    36633006
    36633006

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(7-keto-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-2-yl)-4-piperidinosulfonyl-benzamide N-(7-keto-5,5-dimethyl-4,6-dihyd…

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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) 3.57 -5.27 -17.53 1 7 0 96 447.582 4 ↓

    Analogs

    4889859
    4889859

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(7-keto-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-2-yl)-3-phenoxy-benzamide N-(7-keto-5,5-dimethyl-4,6-dihyd…

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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) 5.08 0.12 -16.81 1 5 0 68 392.48 4 ↓

    Analogs

    4889859
    4889859

    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) 3.00 -0.18 -16.2 1 6 0 77 360.435 4 ↓

    Analogs

    9714692
    9714692

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(7-keto-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-2-yl)-2-(tosylamino)benzamide N-(7-keto-5,5-dimethyl-4,6-dihyd…

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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) 4.52 -4.33 -20.39 2 7 0 105 469.588 5 ↓
    Hi High (pH 8-9.5) 4.52 -3.91 -58.56 1 7 -1 107 468.58 5 ↓

    Analogs

    567763
    567763

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-(dimethylamino)-N-(7-keto-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-2-yl)benzamide 4-(dimethylamino)-N-(7-keto-5,5-…

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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) 3.46 -0.56 -14.09 1 5 0 62 343.452 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) 3.97 -1.33 -14.51 1 4 0 59 360.504 5 ↓

    Analogs

    567763
    567763

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-(diethylamino)-N-(7-keto-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-2-yl)benzamide 4-(diethylamino)-N-(7-keto-5,5-d…

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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 -0.03 -13.58 1 5 0 62 371.506 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[[(1S)-1-(4-chlorophenyl)ethyl]-methyl-amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one 2-[[(1S)-1-(4-chlorophenyl)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) 4.31 10.32 -10.93 0 3 0 33 320.845 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[[(1R)-1-(4-chlorophenyl)ethyl]-methyl-amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one 2-[[(1R)-1-(4-chlorophenyl)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) 4.31 9.71 -11.24 0 3 0 33 320.845 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[[(1S)-1-(2-chlorophenyl)ethyl]-methyl-amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one 2-[[(1S)-1-(2-chlorophenyl)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) 4.26 9.53 -12.98 0 3 0 33 320.845 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[[(1R)-1-(2-chlorophenyl)ethyl]-methyl-amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one 2-[[(1R)-1-(2-chlorophenyl)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) 4.26 9.6 -13.16 0 3 0 33 320.845 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[[(1S)-1-(3-chlorophenyl)ethyl]-methyl-amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one 2-[[(1S)-1-(3-chlorophenyl)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) 4.29 10.31 -10.06 0 3 0 33 320.845 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[[(1R)-1-(3-chlorophenyl)ethyl]-methyl-amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one 2-[[(1R)-1-(3-chlorophenyl)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) 4.29 9.71 -10.61 0 3 0 33 320.845 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[[(1S)-1-(2-fluorophenyl)ethyl]-methyl-amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one 2-[[(1S)-1-(2-fluorophenyl)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) 3.75 9.33 -14.21 0 3 0 33 304.39 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[[(1R)-1-(2-fluorophenyl)ethyl]-methyl-amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one 2-[[(1R)-1-(2-fluorophenyl)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) 3.75 9.35 -14.24 0 3 0 33 304.39 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[3-methoxypropyl(methyl)amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one 2-[3-methoxypropyl(methyl)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) 1.93 5.85 -12.48 0 4 0 42 254.355 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[3-methoxypropyl(methyl)amino]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one 2-[3-methoxypropyl(methyl)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) 2.82 6.77 -11.71 0 4 0 42 282.409 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(5-chloro-2-fluoro-phenyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one 2-(5-chloro-2-fluoro-phenyl)-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) 4.14 7.56 -9.48 0 2 0 30 281.739 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(5-chloro-2-fluoro-phenyl)-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one 2-(5-chloro-2-fluoro-phenyl)-5,5…

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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) 5.03 8.48 -8.77 0 2 0 30 309.793 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(2-thienylmethyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one 2-(2-thienylmethyl)-5,6-dihydro-…

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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) 3.04 6.94 -9.43 0 2 0 30 249.36 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5,5-dimethyl-2-(2-thienylmethyl)-4,6-dihydro-1,3-benzothiazol-7-one 5,5-dimethyl-2-(2-thienylmethyl)…

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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 7.87 -8.79 0 2 0 30 277.414 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(2-chloro-6-fluoro-phenyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one 2-(2-chloro-6-fluoro-phenyl)-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) 4.12 7.91 -11.49 0 2 0 30 281.739 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(2-chloro-6-fluoro-phenyl)-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one 2-(2-chloro-6-fluoro-phenyl)-5,5…

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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) 5.00 8.51 -11.62 0 2 0 30 309.793 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(4-propoxyphenyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one 2-(4-propoxyphenyl)-5,6-dihydro-…

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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) 4.30 8.1 -9.27 0 3 0 39 287.384 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(3-propoxyphenyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one 2-(3-propoxyphenyl)-5,6-dihydro-…

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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) 4.28 8.08 -10.03 0 3 0 39 287.384 4 ↓

    Analogs

    11814068
    11814068

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(5S)-5-(4-benzylpiperidine-1-carbonyl)-7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl]furan-2-carboxa N-[(5S)-5-(4-benzylpiperidine-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) 3.75 -0.98 -14.6 1 7 0 93 463.559 5 ↓

    Analogs

    11814067
    11814067

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(5R)-5-(4-benzylpiperidine-1-carbonyl)-7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl]furan-2-carboxa N-[(5R)-5-(4-benzylpiperidine-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) 3.75 -0.96 -14.11 1 7 0 93 463.559 5 ↓

    Analogs

    11814593
    11814593
    11814594
    11814594
    11814596
    11814596

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5S)-2-(cyclobutanecarbonylamino)-N-methyl-7-oxo-N-[(3R)-tetrahydrofuran-3-yl]-5,6-dihydro-4H-1,3-be (5S)-2-(cyclobutanecarbonylamino…

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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) 1.35 -3.1 -13.89 1 7 0 89 377.466 4 ↓

    Analogs

    11814594
    11814594
    11814596
    11814596
    11814591
    11814591

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5S)-2-(cyclobutanecarbonylamino)-N-methyl-7-oxo-N-[(3S)-tetrahydrofuran-3-yl]-5,6-dihydro-4H-1,3-be (5S)-2-(cyclobutanecarbonylamino…

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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) 1.35 -3.33 -15.22 1 7 0 89 377.466 4 ↓

    Analogs

    11814596
    11814596
    11814591
    11814591
    11814593
    11814593

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5R)-2-(cyclobutanecarbonylamino)-N-methyl-7-oxo-N-[(3R)-tetrahydrofuran-3-yl]-5,6-dihydro-4H-1,3-be (5R)-2-(cyclobutanecarbonylamino…

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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) 1.35 -3.16 -14.05 1 7 0 89 377.466 4 ↓

    Analogs

    11814591
    11814591
    11814593
    11814593
    11814594
    11814594

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5R)-2-(cyclobutanecarbonylamino)-N-methyl-7-oxo-N-[(3S)-tetrahydrofuran-3-yl]-5,6-dihydro-4H-1,3-be (5R)-2-(cyclobutanecarbonylamino…

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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) 1.35 -3.07 -14.18 1 7 0 89 377.466 4 ↓

    Analogs

    11838994
    11838994

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5S)-N-(3-dimethylamino-2,2-dimethyl-propyl)-7-oxo-2-(thiophene-2-carbonylamino)-5,6-dihydro-4H-1,3- (5S)-N-(3-dimethylamino-2,2-dime…

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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 -2.04 -46.49 3 7 1 93 435.595 7 ↓

    Analogs

    11838991
    11838991

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5R)-N-(3-dimethylamino-2,2-dimethyl-propyl)-7-oxo-2-(thiophene-2-carbonylamino)-5,6-dihydro-4H-1,3- (5R)-N-(3-dimethylamino-2,2-dime…

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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 -2.04 -46.44 3 7 1 93 435.595 7 ↓

    Analogs

    11839109
    11839109

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5R)-2-[(4-methoxybenzoyl)amino]-7-oxo-N-(3-phenylpropyl)-5,6-dihydro-4H-1,3-benzothiazole-5-carboxa (5R)-2-[(4-methoxybenzoyl)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) 4.05 -2.59 -16.41 2 7 0 97 463.559 8 ↓

    Analogs

    11839107
    11839107

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5S)-2-[(4-methoxybenzoyl)amino]-7-oxo-N-(3-phenylpropyl)-5,6-dihydro-4H-1,3-benzothiazole-5-carboxa (5S)-2-[(4-methoxybenzoyl)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) 4.05 -2.6 -16.42 2 7 0 97 463.559 8 ↓

    Analogs

    11839314
    11839314
    11839315
    11839315
    11839317
    11839317

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5R)-N-[(2,5-difluorophenyl)methyl]-2-[[(2R)-2-methylbutanoyl]amino]-7-oxo-5,6-dihydro-4H-1,3-benzot (5R)-N-[(2,5-difluorophenyl)meth…

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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) 3.24 -1.17 -14.82 2 6 0 88 421.469 6 ↓

    Analogs

    11839315
    11839315
    11839317
    11839317
    11839312
    11839312

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5R)-N-[(2,5-difluorophenyl)methyl]-2-[[(2S)-2-methylbutanoyl]amino]-7-oxo-5,6-dihydro-4H-1,3-benzot (5R)-N-[(2,5-difluorophenyl)meth…

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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) 3.24 -1.16 -14.86 2 6 0 88 421.469 6 ↓

    Analogs

    11839317
    11839317
    11839312
    11839312
    11839314
    11839314

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5S)-N-[(2,5-difluorophenyl)methyl]-2-[[(2R)-2-methylbutanoyl]amino]-7-oxo-5,6-dihydro-4H-1,3-benzot (5S)-N-[(2,5-difluorophenyl)meth…

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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) 3.24 -1.16 -14.99 2 6 0 88 421.469 6 ↓

    Analogs

    11839312
    11839312
    11839315
    11839315

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5S)-N-[(2,5-difluorophenyl)methyl]-2-[[(2S)-2-methylbutanoyl]amino]-7-oxo-5,6-dihydro-4H-1,3-benzot (5S)-N-[(2,5-difluorophenyl)meth…

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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) 3.24 -1.16 -14.97 2 6 0 88 421.469 6 ↓

    Analogs

    11839425
    11839425

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5S)-N-cyclohexyl-N-methyl-7-oxo-2-[(2-phenylacetyl)amino]-5,6-dihydro-4H-1,3-benzothiazole-5-carbox (5S)-N-cyclohexyl-N-methyl-7-oxo…

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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) 3.91 -1.38 -15.31 1 6 0 79 425.554 5 ↓

    Analogs

    11839424
    11839424

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5R)-N-cyclohexyl-N-methyl-7-oxo-2-[(2-phenylacetyl)amino]-5,6-dihydro-4H-1,3-benzothiazole-5-carbox (5R)-N-cyclohexyl-N-methyl-7-oxo…

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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) 3.91 -1.39 -15.36 1 6 0 79 425.554 5 ↓

    Analogs

    11839744
    11839744

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5R)-2-[(3-methoxybenzoyl)amino]-7-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5,6-dihydro-4H-1,3-benzoth (5R)-2-[(3-methoxybenzoyl)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) 1.73 -3.92 -23.75 2 9 0 118 470.551 8 ↓

    Analogs

    11839741
    11839741

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5S)-2-[(3-methoxybenzoyl)amino]-7-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5,6-dihydro-4H-1,3-benzoth (5S)-2-[(3-methoxybenzoyl)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) 1.73 -3.9 -23.88 2 9 0 118 470.551 8 ↓

    Analogs

    11841097
    11841097
    11841099
    11841099
    11841102
    11841102

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5R)-2-[[(2R)-2-methylbutanoyl]amino]-7-oxo-N-[(3,4,5-trifluorophenyl)methyl]-5,6-dihydro-4H-1,3-ben (5R)-2-[[(2R)-2-methylbutanoyl]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) 3.33 -0.4 -17.95 2 6 0 88 439.459 6 ↓

    Analogs

    11841099
    11841099
    11841102
    11841102
    11841095
    11841095

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5R)-2-[[(2S)-2-methylbutanoyl]amino]-7-oxo-N-[(3,4,5-trifluorophenyl)methyl]-5,6-dihydro-4H-1,3-ben (5R)-2-[[(2S)-2-methylbutanoyl]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) 3.33 -0.4 -17.93 2 6 0 88 439.459 6 ↓

    Parameters Provided:

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    Structural Results Found: (before additional filtering)

    SQL Query Was

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    //zinc12.docking.org/results/combination?ring.id=1197&filter.purchasability=annotated

    Embed Link to Results

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