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    • Cart Contents | ZINC Is Not Commercial - A database of commercially-available compounds
    UCSF

    CK (Public by Teague Sterling) Matching Drugs for CK Purchasability Report

    ZINC Item Suppliers, Protomers, & Similar Substances

    Analogs

    156801
    156801

    Draw Identity 99% 90% 80% 70%

    Popular Name: Bucetin Bucetin

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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) 1.55 2.69 -12.3 2 4 0 59 223.272 5 ↓

    Analogs

    1573408
    1573408
    32219365
    32219365
    32219366
    32219366

    Draw Identity 99% 90% 80% 70%

    Popular Name: olol olol

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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 -2.43 -50.15 4 6 1 92 309.386 8 ↓

    Analogs

    393730
    393730

    Draw Identity 99% 90% 80% 70%

    Popular Name: 589 589

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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) 1.28 2.18 -13.94 2 4 0 59 209.245 4 ↓

    Analogs

    4213949
    4213949
    5430638
    5430638
    6017787
    6017787

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    Popular Name: LS-139280 LS-139280

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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) -0.30 -4.82 -18.31 2 6 0 82 262.265 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: Phenacetin Phenacetin

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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) 1.59 3.6 -9.37 1 3 0 38 179.219 3 ↓

    Analogs

    967917
    967917

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    Popular Name: Practolol Practolol

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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) 1.03 2.01 -44.82 4 5 1 75 267.349 7 ↓
    Hi High (pH 8-9.5) 1.03 0.74 -11.08 3 5 0 71 266.341 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: ACETAMINOSALOL ACETAMINOSALOL

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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 5.62 -15.26 2 5 0 76 271.272 4 ↓
    Hi High (pH 8-9.5) 3.05 6.63 -58.56 1 5 -1 78 270.264 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: BENORILATE BENORILATE

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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) 2.61 9.11 -18.99 1 6 0 82 313.309 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: BW-6390 BW-6390

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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) 2.40 4.54 -10.33 1 3 0 38 207.273 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: DIACETAMATE DIACETAMATE

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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) 0.71 4.63 -13.21 1 4 0 55 193.202 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: Diloxanide furoate Diloxanide furoate

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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 3.01 -12.25 0 5 0 59 328.151 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(4-Ethoxyphenyl)-2-hydroxyacetamide N-(4-Ethoxyphenyl)-2-hydroxyacet…

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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) 0.92 -2.19 -13.78 2 4 0 58 195.218 4 ↓

    Analogs

    3106368
    3106368
    27730954
    27730954

    Draw Identity 99% 90% 80% 70%

    Popular Name: Fenitrothion Fenitrothion

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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) 3.38 9.22 -14.55 0 6 0 74 277.238 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-Methyl-3-(4'-aethoxyphenyl)chinazolinone(4) [German]; 3-(p-Ethoxyphenyl)-2-methyl-4(3H)-quinazolinone; 4(3H)-Quinazolinone, 3-(4-ethoxyphenyl)-2-methyl-; 4(3H)-Quinazolinone, 3-(p-ethoxyphenyl)-2-methyl-; B 146; BRN 0255500; LS-140864; Lonethyl; Lonetil 2-Methyl-3-(4'-aethoxyphenyl)chi…

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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) 2.85 1.25 -10.47 0 4 0 44 280.327 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-Aminosalicylic acid 5-Aminosalicylic 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) 0.92 0.97 -52.2 3 4 -1 86 152.129 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-Isothiocyanato-4'-nitrodiphenyl ether 4-Isothiocyanato-4'-nitrodipheny…

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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) 5.02 8.33 -8.34 0 5 0 67 272.285 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: Osalmid Osalmid

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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 2.07 -12.14 3 4 0 70 229.235 2 ↓
    Hi High (pH 8-9.5) 2.84 3.08 -55.95 2 4 -1 72 228.227 2 ↓

    Analogs

    Draw 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
    Ref Reference (pH 7) 2.59 6.65 -13.41 1 4 0 55 261.302 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(4-Hydroxyphenyl)propanamide N-(4-Hydroxyphenyl)propanamide

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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 1.34 -9.67 2 3 0 49 165.192 2 ↓

    Analogs

    55161176
    55161176

    Draw Identity 99% 90% 80% 70%

    Popular Name: Propacetamol HCl Propacetamol HCl

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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) 1.28 2.34 -42.3 2 5 1 59 265.333 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: Efuamide Efuamide

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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 5.15 -12.43 2 4 0 59 257.289 4 ↓
    Hi High (pH 8-9.5) 3.75 6.16 -57.05 1 4 -1 61 256.281 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: INN) INN)

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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) 2.49 -2.75 -6.17 2 3 0 49 254.5 2 ↓

    Analogs

    3995315
    3995315
    53122791
    53122791
    53151197
    53151197

    Draw Identity 99% 90% 80% 70%

    Popular Name: Physostigmine Physostigmine

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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) 1.94 5.97 -40.16 2 5 1 46 276.36 2 ↓
    Hi High (pH 8-9.5) 1.94 3.28 -9.83 1 5 0 45 275.352 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: Acebutolol hydrochloride Acebutolol 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) 2.25 5.25 -46.91 4 6 1 92 337.44 10 ↓
    Hi High (pH 8-9.5) 2.25 4.04 -16.72 3 6 0 88 336.432 10 ↓

    Analogs

    6666274
    6666274
    6666275
    6666275
    99
    99

    Draw Identity 99% 90% 80% 70%

    Popular Name: Bucetin Bucetin

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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) 1.55 2.69 -12.33 2 4 0 59 223.272 5 ↓

    Analogs

    417
    417

    Draw Identity 99% 90% 80% 70%

    Popular Name: 589 589

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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) 1.28 2.19 -13.97 2 4 0 59 209.245 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: Thiocarbanidin (MI) Thiocarbanidin (MI)

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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 -1.07 -14.41 2 4 0 46 377.513 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: Toltrazuril Toltrazuril

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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) 5.97 1.57 -7.86 1 7 0 86 425.388 5 ↓

    Analogs

    1846283
    1846283
    33755214
    33755214
    33755215
    33755215
    33826838
    33826838

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(4-(3-(tert-butylamino)-2-hydroxypropoxy)phenyl)-3-cyclohexylurea 1-(4-(3-(tert-butylamino)-2-hydr…

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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) 3.73 4.64 -42.78 5 6 1 87 364.51 8 ↓

    Analogs

    26746271
    26746271
    49583080
    49583080

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    Popular Name: DOFETILIDE DOFETILIDE

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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) 2.29 3.84 -62.44 3 8 1 106 442.583 11 ↓
    Hi High (pH 8-9.5) 2.29 1.49 -20.82 2 8 0 105 441.575 11 ↓
    Mid Mid (pH 6-8) 2.29 3.99 -72.03 2 8 0 108 441.575 11 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: Trimetrexate Trimetrexate

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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 5.85 -37.21 6 8 1 119 370.433 6 ↓
    Hi High (pH 8-9.5) 2.19 5.38 -15.09 5 8 0 118 369.425 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: TEPOXALIN TEPOXALIN

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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) 3.79 0.26 -11.43 1 6 0 67 385.851 6 ↓
    Hi High (pH 8-9.5) 3.79 0.74 -49.01 0 6 -1 70 384.843 6 ↓

    Analogs

    1653191
    1653191

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-[(7-chloro-4-quinolyl)amino]-2-(diethylaminomethyl)phenol 4-[(7-chloro-4-quinolyl)amino]-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) 5.29 -0.98 -40.41 3 4 1 49 356.877 6 ↓

    Analogs

    643143
    643143
    643153
    643153
    3872994
    3872994

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    Popular Name: Ketoconazole Ketoconazole

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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) 3.77 12.55 -49.34 1 8 1 70 532.448 7 ↓

    Analogs

    652
    652

    Draw Identity 99% 90% 80% 70%

    Popular Name: Practolol Practolol

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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) 1.03 2.03 -44.96 4 5 1 75 267.349 7 ↓
    Hi High (pH 8-9.5) 1.03 0.85 -10.85 3 5 0 71 266.341 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: Acebutolol hydrochloride Acebutolol 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) 2.25 5.23 -46.84 4 6 1 92 337.44 10 ↓
    Hi High (pH 8-9.5) 2.25 4.06 -16.74 3 6 0 88 336.432 10 ↓

    Analogs

    4261816
    4261816
    4533046
    4533046
    4533047
    4533047
    4534119
    4534119
    4887026
    4887026

    Draw Identity 99% 90% 80% 70%

    Popular Name: Brucine Brucine

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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) 1.46 7.47 -58.24 1 6 1 52 395.479 2 ↓

    Analogs

    3987201
    3987201
    3987204
    3987204
    33991549
    33991549
    38461223
    38461223

    Draw Identity 99% 90% 80% 70%

    Popular Name: Sorafenib Sorafenib

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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) 4.76 6.55 -16.07 3 7 0 92 464.831 6 ↓

    Analogs

    3962882
    3962882

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    Popular Name: KB2115 KB2115

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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) 4.82 -1.94 -53.82 2 6 -1 98 486.136 6 ↓

    Analogs

    5735190
    5735190
    5735192
    5735192
    5751474
    5751474
    5821551
    5821551
    5821559
    5821559

    Draw Identity 99% 90% 80% 70%

    Popular Name: Paraoxon Paraoxon

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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) 1.97 7.8 -11.4 0 7 0 91 275.197 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: Lapatinib Lapatinib

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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) 6.16 -3.53 -72.53 3 8 1 110 582.077 11 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: Cilostazol Cilostazol

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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) 3.40 8.68 -16.36 1 7 0 82 369.469 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: INN INN

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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) 1.91 5.66 -20.77 2 7 0 86 372.421 10 ↓

    Analogs

    32219365
    32219365
    32219366
    32219366
    211
    211

    Draw Identity 99% 90% 80% 70%

    Popular Name: olol olol

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    And 11 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) 0.85 -2.42 -50.14 4 6 1 92 309.386 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: INN) INN)

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    And 4 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 -1.05 -12.28 2 4 0 36 343.496 9 ↓

    Analogs

    31993849
    31993849
    31993857
    31993857
    31993864
    31993864
    31993877
    31993877
    31993879
    31993879

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-Nitro-2-n-propoxyaniline 5-Nitro-2-n-propoxyaniline

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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) 2.24 -0.1 -6.17 2 5 0 81 196.206 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: INN INN

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    And 4 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) 2.34 -0.52 -13.81 3 4 0 64 246.31 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: Propetamide (INN) Propetamide (INN)

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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) 3.21 -1.82 -8.86 2 4 0 50 250.342 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: Propetamide (INN) Propetamide (INN)

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    And 7 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) 3.21 -1.82 -8.85 2 4 0 50 250.342 7 ↓

    Analogs

    33755214
    33755214
    33755215
    33755215
    33826838
    33826838
    538582
    538582

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(4-(3-(tert-butylamino)-2-hydroxypropoxy)phenyl)-3-cyclohexylurea 1-(4-(3-(tert-butylamino)-2-hydr…

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    And 35 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) 3.73 4.62 -42.9 5 6 1 87 364.51 8 ↓
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