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

    2581651
    2581651
    34396225
    34396225

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    Popular Name: Acetanilide Acetanilide

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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) 1.16 3.39 -8.79 1 2 0 29 135.166 1 ↓

    Analogs

    4217364
    4217364

    Draw Identity 99% 90% 80% 70%

    Popular Name: Acetazolamide Acetazolamide

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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) -1.15 -4.36 -19.16 3 7 0 115 222.251 2 ↓
    Mid Mid (pH 6-8) -1.15 -3.88 -51.46 2 7 -1 113 221.243 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-Acetyl-L-cysteine N-Acetyl-L-cysteine

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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) -2.44 1.78 -47.64 1 4 -1 69 162.19 3 ↓

    Analogs

    5765111
    5765111
    11676998
    11676998
    11677004
    11677004
    12496045
    12496045
    22047718
    22047718

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    Popular Name: Acitretin Acitretin

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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) 5.57 11.02 -56.86 0 3 -1 49 325.428 6 ↓
    Lo Low (pH 4.5-6) 5.57 10.44 -8.6 1 3 0 47 326.436 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: Acrivastine Acrivastine

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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) 3.34 13.46 -81.52 1 4 0 57 348.446 6 ↓
    Hi High (pH 8-9.5) 3.34 11 -54.83 0 4 -1 56 347.438 6 ↓
    Lo Low (pH 4.5-6) 3.34 13.76 -90.84 2 4 1 59 349.454 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: Acyclovir Acyclovir

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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) -1.61 -0.6 -19.69 4 8 0 119 225.208 4 ↓

    Analogs

    2169830
    2169830
    3201876
    3201876
    3201878
    3201878
    3978047
    3978047
    3978049
    3978049

    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) -0.85 -5.31 -13.62 5 9 0 140 267.245 2 ↓

    Analogs

    3830179
    3830179
    3978047
    3978047
    8580514
    8580514
    896706
    896706

    Draw Identity 99% 90% 80% 70%

    Popular Name: Adenosine Adenosine

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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) -0.85 -5.18 -14.24 5 9 0 140 267.245 2 ↓

    Analogs

    3201889
    3201889
    3201891
    3201891
    3977897
    3977897
    4806442
    4806442
    8613167
    8613167

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    Popular Name: Adenosine 5'-monophosphate Adenosine 5'-monophosphate

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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) -1.52 -2.35 -147.83 4 12 -2 192 345.208 4 ↓
    Mid Mid (pH 6-8) -1.52 -3.5 -56.19 5 12 -1 189 346.216 4 ↓

    Analogs

    3977897
    3977897
    4806442
    4806442
    8613167
    8613167
    1532515
    1532515
    3201889
    3201889

    Draw Identity 99% 90% 80% 70%

    Popular Name: Adenosine 5'-monophosphate Adenosine 5'-monophosphate

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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) -1.52 -3.4 -143.95 4 12 -2 192 345.208 4 ↓
    Mid Mid (pH 6-8) -1.52 -4.56 -52.46 5 12 -1 189 346.216 4 ↓

    Analogs

    3201893
    3201893
    3830180
    3830180
    3860156
    3860156
    3977897
    3977897
    4806442
    4806442

    Draw Identity 99% 90% 80% 70%

    Popular Name: Adenosine 5'-monophosphate Adenosine 5'-monophosphate

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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) -1.52 -3.24 -145.96 4 12 -2 192 345.208 4 ↓
    Mid Mid (pH 6-8) -1.52 -4.39 -53.95 5 12 -1 189 346.216 4 ↓

    Analogs

    1730540
    1730540
    2003680
    2003680

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    Popular Name: Adiphenine hydrochloride Adiphenine hydrochloride

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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) 4.15 12.85 -36.39 1 3 1 31 312.433 9 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: Albendazole Albendazole

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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) 2.92 5.45 -8.46 2 5 0 70 265.338 4 ↓
    Ref Reference (pH 7) 2.92 5.45 -9.77 2 5 0 70 265.338 4 ↓

    Analogs

    44125733
    44125733

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    Popular Name: Alclofenac Alclofenac

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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 7.19 -44.05 0 3 -1 49 225.651 5 ↓

    Analogs

    5820938
    5820938

    Draw Identity 99% 90% 80% 70%

    Popular Name: Prostaglandin E1 Prostaglandin E1

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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) 3.36 7.89 -49.67 2 5 -1 98 353.479 13 ↓
    Lo Low (pH 4.5-6) 3.36 5.91 -10.15 3 5 0 95 354.487 13 ↓

    Analogs

    1900
    1900
    1446096
    1446096
    1584938
    1584938
    1708611
    1708611
    1708612
    1708612

    Draw Identity 99% 90% 80% 70%

    Popular Name: Altretamine Altretamine

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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) 2.18 11.48 -8.91 0 6 0 48 210.285 3 ↓
    Mid Mid (pH 6-8) 2.18 11.58 -23.57 1 6 1 50 211.293 3 ↓

    Analogs

    4076224
    4076224
    4125087
    4125087
    4125088
    4125088
    4141357
    4141357
    4217454
    4217454

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    Popular Name: Amantadine hydrochloride Amantadine hydrochloride

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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 3.78 -41.15 3 1 1 28 152.261 0 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: Aminocaproic acid Aminocaproic acid

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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) -0.09 2.56 -70.92 3 3 0 68 131.175 5 ↓
    Lo Low (pH 4.5-6) -0.09 0.58 -45.33 4 3 1 65 132.183 5 ↓

    Analogs

    1530855
    1530855

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    Popular Name: Aminoglutethimide Aminoglutethimide

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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) 0.76 2.19 -10.22 3 4 0 72 232.283 2 ↓

    Analogs

    1530856
    1530856

    Draw Identity 99% 90% 80% 70%

    Popular Name: Aminoglutethimide Aminoglutethimide

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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) 0.76 2.15 -10.17 3 4 0 72 232.283 2 ↓

    Analogs

    4042226
    4042226
    4534050
    4534050
    19850111
    19850111
    25073484
    25073484
    1562698
    1562698

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S,5S,6R)-6-[[(2R)-2-ammonio-2-(4-hydroxyphenyl)acetyl]amino]-7-keto-3,3-dimethyl-4-thia-1-azabicyc (2S,5S,6R)-6-[[(2R)-2-ammonio-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) -1.35 -9.08 -81.13 5 8 0 137 365.411 4 ↓

    Analogs

    4042226
    4042226
    4534050
    4534050
    19850111
    19850111
    25073484
    25073484

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R,5S,6R)-6-[[(2R)-2-ammonio-2-(4-hydroxyphenyl)acetyl]amino]-7-keto-3,3-dimethyl-4-thia-1-azabicyc (2R,5S,6R)-6-[[(2R)-2-ammonio-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) -1.35 -9.89 -83.59 5 8 0 137 365.411 4 ↓

    Analogs

    3649954
    3649954
    4062610
    4062610
    4523361
    4523361
    11592621
    11592621
    13704471
    13704471

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R,5S,6R)-6-[[(2R)-2-ammonio-2-phenyl-acetyl]amino]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]h (2R,5S,6R)-6-[[(2R)-2-ammonio-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) -0.87 -7.93 -79.79 4 7 0 117 349.412 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: Amsacrine Amsacrine

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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) 4.91 6.33 -44.52 2 6 0 84 393.468 5 ↓
    Hi High (pH 8-9.5) 4.91 5.83 -16.62 2 6 0 80 393.468 5 ↓
    Hi High (pH 8-9.5) 4.91 5.94 -47.33 1 6 -1 82 392.46 5 ↓

    Analogs

    1532749
    1532749

    Draw Identity 99% 90% 80% 70%

    Popular Name: L-Arginine L-Arginine

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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) -3.63 0.33 -74.97 8 6 1 131 175.212 6 ↓
    Hi High (pH 8-9.5) 3.64 10.11 -7.64 0 2 0 20 328.209 1 ↓

    Analogs

    1532525
    1532525

    Draw Identity 99% 90% 80% 70%

    Popular Name: D-Arginine D-Arginine

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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) -3.63 0.35 -74.53 8 6 1 131 175.212 6 ↓

    Analogs

    1846151
    1846151

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    Popular Name: Arotinolol Arotinolol

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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) 2.43 1.85 -51.09 5 5 1 93 372.561 8 ↓

    Analogs

    1542905
    1542905

    Draw Identity 99% 90% 80% 70%

    Popular Name: Arotinolol Arotinolol

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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) 2.43 -7.63 -51.16 5 5 1 92 372.561 8 ↓

    Analogs

    113415
    113415

    Draw Identity 99% 90% 80% 70%

    Popular Name: Atenolol Atenolol

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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) 0.72 0.6 -46.26 5 5 1 89 267.349 8 ↓
    Hi High (pH 8-9.5) 0.72 -0.67 -12.7 4 5 0 85 266.341 8 ↓

    Analogs

    58
    58

    Draw Identity 99% 90% 80% 70%

    Popular Name: trop- trop-

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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) 0.47 -0.24 -19.78 1 5 0 63 305.374 5 ↓

    Analogs

    4097284
    4097284
    4534031
    4534031
    11616761
    11616761
    1530562
    1530562

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    Popular Name: N/A N/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) 0.99 4.51 -66.06 3 11 -1 151 460.492 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: Barbital Barbital

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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) 0.74 -0.67 -5.46 2 5 0 75 184.195 2 ↓
    Mid Mid (pH 6-8) 0.04 -3.18 -35.95 1 5 -1 82 183.187 2 ↓

    Analogs

    1999358
    1999358
    4215639
    4215639
    1718373
    1718373
    1734026
    1734026

    Draw Identity 99% 90% 80% 70%

    Popular Name: BENACTYZINE HYDROCHLORIDE BENACTYZINE HYDROCHLORIDE

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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) 2.95 10.36 -35.14 2 4 1 51 328.432 9 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: Benazepril Benazepril

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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) 2.52 1.64 -57.87 2 7 0 103 424.497 10 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: bencyclane bencyclane

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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) 4.88 2.25 -36.49 1 2 1 13 290.471 7 ↓

    Analogs

    70
    70

    Draw Identity 99% 90% 80% 70%

    Popular Name: Benoxaprofen Benoxaprofen

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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) 4.53 -0.61 -46.47 0 4 -1 66 300.721 3 ↓

    Analogs

    Identity 99% 90% 80% 70%

    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

    Analogs

    12959181
    12959181
    16969857
    16969857

    Draw Identity 99% 90% 80% 70%

    Popular Name: Benztropine mesylate Benztropine mesylate

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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 12.85 -32.6 1 2 1 14 308.445 4 ↓

    Analogs

    6578890
    6578890

    Draw Identity 99% 90% 80% 70%

    Popular Name: Benzyl alcohol Benzyl alcohol

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    And 54 More

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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) 1.27 1.82 -4.35 1 1 0 20 108.14 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: Bepridil hydrochloride Bepridil hydrochloride

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    And 10 More

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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) 4.97 14.18 -37.2 1 3 1 17 367.557 10 ↓

    Analogs

    895466
    895466

    Draw Identity 99% 90% 80% 70%

    Popular Name: betaine betaine

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    And 61 More

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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 5.26 -31.5 0 3 0 40 117.148 2 ↓

    Analogs

    1530568
    1530568
    5760467
    5760467
    5760472
    5760472
    5760527
    5760527
    5760532
    5760532

    Draw Identity 99% 90% 80% 70%

    Popular Name: Betaxolol Betaxolol

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    And 33 More

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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) 2.84 6.19 -41.47 3 4 1 55 308.442 11 ↓
    Hi High (pH 8-9.5) 2.84 5.01 -5.89 2 4 0 51 307.434 11 ↓

    Analogs

    5760467
    5760467
    5760472
    5760472
    5760527
    5760527
    5760532
    5760532
    1530567
    1530567

    Draw Identity 99% 90% 80% 70%

    Popular Name: Betaxolol Betaxolol

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    And 23 More

    Activity (Go SEA)

    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) 2.84 6.17 -41.62 3 4 1 55 308.442 11 ↓
    Hi High (pH 8-9.5) 2.84 4.89 -5.98 2 4 0 51 307.434 11 ↓

    Analogs

    3830314
    3830314

    Draw Identity 99% 90% 80% 70%

    Popular Name: Bethanechol chloride Bethanechol chloride

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    And 25 More

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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 2.07 -34.67 2 4 1 52 161.225 4 ↓

    Analogs

    1530570
    1530570

    Draw Identity 99% 90% 80% 70%

    Popular Name: Bisoprolol Bisoprolol

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    And 43 More

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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) 2.30 4.82 -43.49 3 5 1 65 326.457 12 ↓
    Hi High (pH 8-9.5) 2.30 3.64 -8.33 2 5 0 60 325.449 12 ↓

    Analogs

    1530569
    1530569

    Draw Identity 99% 90% 80% 70%

    Popular Name: Bisoprolol Bisoprolol

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    And 43 More

    Activity (Go SEA)

    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) 2.30 4.8 -43.51 3 5 1 65 326.457 12 ↓
    Hi High (pH 8-9.5) 2.30 3.53 -8.45 2 5 0 60 325.449 12 ↓

    Analogs

    1542901
    1542901

    Draw Identity 99% 90% 80% 70%

    Popular Name: Bopindolol Bopindolol

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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) 5.14 1.15 -32.83 3 5 1 67 381.496 9 ↓

    Analogs

    2032320
    2032320

    Draw Identity 99% 90% 80% 70%

    Popular Name: Bopindolol Bopindolol

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    Vendors

    Activity (Go SEA)

    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) 5.14 11.58 -32.31 3 5 1 68 381.496 9 ↓
    Hi High (pH 8-9.5) 5.14 10.57 -9.55 2 5 0 63 380.488 9 ↓

    Analogs

    95
    95

    Draw Identity 99% 90% 80% 70%

    Popular Name: Bromodiphenhydramine Bromodiphenhydramine

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    Vendors

    Activity (Go SEA)

    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 1.67 -36.2 1 2 1 13 335.265 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: WE-941 WE-941

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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) 3.17 8.92 -10.07 0 4 0 43 393.697 1 ↓
    Mid Mid (pH 6-8) 3.17 9.86 -33.76 1 4 1 45 394.705 1 ↓

    Parameters Provided:

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page.num = 1
catalog.name = fda
filter.purchasability = purchasable

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    SQL Query Was

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