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

    4119504
    4119504

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-(4-bromophenyl)-1-(3-methylphenyl)-3a,6a-dihydrosprio[1H-furo[3,4-c]pyrrole-3,2'-(1'H)-indene]-1',3',4,6(2'H,3H,5H)-tetrone 5-(4-bromophenyl)-1-(3-methylphe…

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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 12.17 -11.64 0 6 0 81 516.347 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-bromo-N'-(3-chlorophenyl)nicotinohydrazide 5-bromo-N'-(3-chlorophenyl)nicot…

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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) 2.96 5.41 -8.05 2 4 0 54 326.581 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(4-methyl-2-pyridinyl)-2-(1-naphthyl)acetamide N-(4-methyl-2-pyridinyl)-2-(1-na…

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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) 3.58 0.63 -15.11 1 3 0 41 276.339 3 ↓
    Lo Low (pH 4.5-6) 3.58 0.27 -32.07 2 3 1 43 277.347 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-(1,2-diazabicyclo[2.2.2]oct-2-yl)-1-phenylpropyl acetate 3-(1,2-diazabicyclo[2.2.2]oct-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) 2.91 9.65 -35.59 1 4 1 34 289.399 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-(dimethylamino)-3-methyl-2,2-diphenylbutanenitrile 4-(dimethylamino)-3-methyl-2,2-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) 4.13 4.41 -31.48 1 2 1 28 279.407 5 ↓

    Analogs

    33677729
    33677729

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-{4-hydroxy-2-[(1,2,2-trimethylpropylidene)hydrazono]-2,5-dihydro-1,3-thiazol-5-yl}-N-(2-methoxyphenyl)acetamide 2-{4-hydroxy-2-[(1,2,2-trimethyl…

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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) 2.77 6.66 -11.95 2 7 0 92 376.482 6 ↓
    Ref Reference (pH 7) 2.77 6.69 -11.16 2 7 0 92 376.482 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-{[2-(2-methoxyphenoxy)ethyl]sulfanyl}-6-methyl-4(1H)-pyrimidinone 2-{[2-(2-methoxyphenoxy)ethyl]su…

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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 5.71 -12.19 1 5 0 64 292.36 6 ↓
    Mid Mid (pH 6-8) 3.13 3.72 -52.28 0 5 -1 67 291.352 6 ↓

    Analogs

    4164071
    4164071

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3S)-1-(4-ethoxyphenyl)-3-(1-piperidyl)pyrrolidine-2,5-dione (3S)-1-(4-ethoxyphenyl)-3-(1-pip…

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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) 1.71 8.15 -51.18 1 5 1 51 303.382 4 ↓
    Mid Mid (pH 6-8) 1.71 5.89 -10.19 0 5 0 50 302.374 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-benzyl-2-{[(4-fluorophenyl)sulfonyl]amino}-N-methylacetamide N-benzyl-2-{[(4-fluorophenyl)sul…

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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) 1.92 -3.52 -14.66 1 5 0 66 336.388 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-({[2-(diethylamino)ethyl]amino}methylene)-1-(2-methoxyphenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione 5-({[2-(diethylamino)ethyl]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) 1.16 8.03 -54.39 3 7 1 81 377.49 8 ↓
    Hi High (pH 8-9.5) 1.16 5.88 -13.29 2 7 0 79 376.482 8 ↓
    Hi High (pH 8-9.5) 1.16 5.89 -13.38 2 7 0 79 376.482 8 ↓

    Analogs

    8575395
    8575395

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(3,5-dimethylphenyl)-2-{4-hydroxy-2-[(1-methylethylidene)hydrazono]-2,5-dihydro-1,3-thiazol-5-yl}acetamide N-(3,5-dimethylphenyl)-2-{4-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) 2.27 6.7 -13.19 2 6 0 83 332.429 4 ↓
    Ref Reference (pH 7) 2.27 6.74 -12.42 2 6 0 83 332.429 4 ↓

    Analogs

    33937774
    33937774

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[(4,6-dioxo-2-thioxo-1-[3-(trifluoromethyl)phenyl]tetrahydro-5(2H)-pyrimidinylidene)methyl]hydrazinecarboxamide 2-[(4,6-dioxo-2-thioxo-1-[3-(tri…

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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) 0.73 1.75 -47.33 4 8 -1 125 372.308 4 ↓
    Lo Low (pH 4.5-6) 0.27 2.83 -18.4 5 8 0 122 373.316 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: ethyl ethyl

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 1.90 4.5 -46.12 0 6 -1 80 248.262 4 ↓

    Analogs

    5825316
    5825316

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-tert-butyl-N-(2-sulfanylphenyl)benzamide 4-tert-butyl-N-(2-sulfanylphenyl…

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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) 4.72 9.58 -44.04 1 2 -1 29 284.404 3 ↓
    Mid Mid (pH 6-8) 4.72 9.05 -6.7 1 2 0 29 285.412 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(4-chlorophenyl)-N'-(5-methyl-1,3,4-thiadiazol-2-yl)urea N-(4-chlorophenyl)-N'-(5-methyl-…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.25 4.48 -17.47 2 5 0 67 268.729 2 ↓
    Hi High (pH 8-9.5) 1.88 3.01 -45.33 1 5 -1 73 267.721 3 ↓
    Mid Mid (pH 6-8) 1.88 1.84 -33.93 1 5 -1 72 267.721 3 ↓

    Analogs

    33933221
    33933221
    6906983
    6906983

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5Z)-5-[[3-[(2-chlorophenyl)methoxy]-4-methoxy-phenyl]methylene]-2-imino-thiazolidin-4-one (5Z)-5-[[3-[(2-chlorophenyl)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) 3.01 7.51 -10.17 2 5 0 75 374.849 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2,3-bis[(1-methyl-1H-imidazol-2-yl)sulfanyl]quinoxaline 2,3-bis[(1-methyl-1H-imidazol-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) 3.33 10.24 -18.62 0 6 0 61 354.464 4 ↓
    Mid Mid (pH 6-8) 3.33 10.59 -32.99 1 6 1 63 355.472 4 ↓
    Mid Mid (pH 6-8) 3.33 10.96 -67.25 2 6 2 64 356.48 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(3-Chloro-quinoxalin-2-yl)-piperidin-3-ol 1-(3-Chloro-quinoxalin-2-yl)-pip…

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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 -5.29 -7.54 1 4 0 49 263.728 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [1-(3-Chloro-quinoxalin-2-yl)-piperidin-3-yl]-methanol [1-(3-Chloro-quinoxalin-2-yl)-pi…

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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) 2.90 -5.15 -8.88 1 4 0 49 277.755 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: sec-butyl 4-[4-(dimethylamino)phenyl]-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate sec-butyl 4-[4-(dimethylamino)ph…

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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) 6.38 15.41 -19.05 1 5 0 59 458.602 7 ↓

    Analogs

    36980150
    36980150

    Draw Identity 99% 90% 80% 70%

    Popular Name: ethyl 2-{[N-(2-hydroxyethyl)-beta-alanyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate ethyl 2-{[N-(2-hydroxyethyl)-bet…

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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 -4.1 -47.85 4 6 1 92 341.453 9 ↓

    Analogs

    8934488
    8934488
    8934489
    8934489

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[[(4S)-3-cyano-6-methyl-5-(o-tolylcarbamoyl)-4-(2-thienyl)-1,4-dihydropyridin-2-yl]thio]acetic-aci 2-[[(4S)-3-cyano-6-methyl-5-(o-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) 4.32 12.44 -18.66 2 6 0 91 453.589 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: methyl (6-methoxy-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetate methyl (6-methoxy-3-oxo-3,4-dihy…

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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) 1.21 -0.11 -8.68 1 5 0 64 267.306 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 6-(benzylsulfanyl)-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione 6-(benzylsulfanyl)-1,3-dimethyl-…

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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) 1.77 0.72 -8.86 0 4 0 44 262.334 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-{dinitromethylene}-4,5-imidazolidinediol 2-{dinitromethylene}-4,5-imidazo…

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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) -3.35 -2.85 -23.39 4 10 0 164 206.114 2 ↓
    Mid Mid (pH 6-8) -3.35 -2.27 -47.96 3 10 -1 166 205.106 2 ↓
    Mid Mid (pH 6-8) -3.35 -3.36 -102.98 2 10 -2 162 204.098 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-methoxyethyl 7-(4-chlorophenyl)-4-(2,5-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate 2-methoxyethyl 7-(4-chlorophenyl…

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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 11.41 -20.93 1 7 0 83 512.002 9 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(3-methylphenyl)-2,5-dioxo-3-pyrrolidinyl N'-phenylimidothiocarbamate 1-(3-methylphenyl)-2,5-dioxo-3-p…

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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) 2.31 8.79 -13.99 2 5 0 76 339.42 4 ↓
    Ref Reference (pH 7) 2.31 8.2 -13.89 2 5 0 76 339.42 4 ↓
    Ref Reference (pH 7) 2.31 8.2 -14.32 2 5 0 76 339.42 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-(5-{[1-(3,4-dimethylphenyl)-3,5-dioxo-4-pyrazolidinylidene]methyl}-2-furyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide 4-(5-{[1-(3,4-dimethylphenyl)-3,…

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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) 4.11 -4.47 -19.97 2 9 0 127 520.592 6 ↓
    Hi High (pH 8-9.5) 4.11 -3.92 -51.07 1 9 -1 129 519.584 6 ↓

    Analogs

    2126864
    2126864

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-(5-{[1-(4-methylphenyl)-3,5-dioxo-4-pyrazolidinylidene]methyl}-2-furyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide 4-(5-{[1-(4-methylphenyl)-3,5-di…

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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) 3.52 -4.76 -19.86 2 9 0 127 506.565 6 ↓
    Hi High (pH 8-9.5) 3.52 -4.21 -50.86 1 9 -1 129 505.557 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(4-chlorophenyl)-N-(4-{[(4,6-dimethyl-2-pyrimidinyl)amino]sulfonyl}phenyl)acetamide 2-(4-chlorophenyl)-N-(4-{[(4,6-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) 3.42 -4.5 -21.41 2 7 0 101 430.917 6 ↓
    Hi High (pH 8-9.5) 3.42 -3.93 -58.74 1 7 -1 103 429.909 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(3-{N-[(3,6-dichloro-1-benzothien-2-yl)carbonyl]ethanehydrazonoyl}phenyl)benzenesulfonamide N-(3-{N-[(3,6-dichloro-1-benzoth…

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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) 6.22 -5.13 -18.19 2 2 0 87 518.447 6 ↓
    Hi High (pH 8-9.5) 6.22 -4.55 -58.19 1 6 -1 89 517.439 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-[(2,5-dichlorophenoxy)methyl]-N-{4-[(2-methoxyanilino)sulfonyl]phenyl}-2-furamide 5-[(2,5-dichlorophenoxy)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) 6.03 8.28 -16.14 2 8 0 107 547.416 9 ↓
    Hi High (pH 8-9.5) 6.03 8.31 -55.43 1 8 -1 109 546.408 9 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 6-bromo-N-(4-{[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl}phenyl)-2-(3-ethoxyphenyl)-4-quinolinecarboxamide 6-bromo-N-(4-{[(3,4-dimethyl-5-i…

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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) 6.12 -4.89 -21.07 2 9 0 123 621.513 8 ↓
    Hi High (pH 8-9.5) 6.12 -5.03 -49.96 1 9 -1 125 620.505 8 ↓

    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) 3.09 0.08 -55.73 2 10 -1 134 434.498 7 ↓
    Mid Mid (pH 6-8) 3.27 1.2 -17.92 3 10 0 135 435.506 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-[4-(4-chlorophenyl)sulfonylaminophenyl]sulfonylamino-1,3,4-thiadiazole-2-sulfonamide 5-[4-(4-chlorophenyl)sulfonylami…

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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) 1.84 -15.66 -20.82 4 11 0 178 510 7 ↓
    Hi High (pH 8-9.5) 1.84 -15.08 -41.53 3 11 -1 180 508.992 7 ↓
    Hi High (pH 8-9.5) 1.84 -15.08 -49.06 3 11 -1 180 508.992 7 ↓

    Analogs

    3100863
    3100863
    242098
    242098

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-methyl-N-(2-methyl-5-{[(4-methylphenyl)sulfonyl]amino}phenyl)benzenesulfonamide 4-methyl-N-(2-methyl-5-{[(4-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) 4.74 -6.73 -18.53 2 6 0 92 430.551 6 ↓
    Hi High (pH 8-9.5) 4.74 -6.15 -57.51 1 6 -1 94 429.543 6 ↓
    Hi High (pH 8-9.5) 4.74 -5.69 -124.13 0 6 -2 96 428.535 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(4-{[(4,6-dimethyl-2-pyrimidinyl)amino]sulfonyl}phenyl)-2-(1-naphthyloxy)acetamide N-(4-{[(4,6-dimethyl-2-pyrimidin…

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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) 3.78 -4.16 -25.05 2 8 0 110 462.531 7 ↓
    Hi High (pH 8-9.5) 3.78 -3.59 -63.29 1 8 -1 112 461.523 7 ↓

    Analogs

    8452234
    8452234
    5923347
    5923347
    6088992
    6088992

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-{4-[(1,3-thiazol-2-ylamino)sulfonyl]phenyl}hexadecanamide N-{4-[(1,3-thiazol-2-ylamino)sul…

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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) 8.44 -3.97 -17.11 2 6 0 88 493.739 18 ↓
    Hi High (pH 8-9.5) 8.44 -3.42 -47.08 1 6 -1 90 492.731 18 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 6,6'-bis{N-[(4-chlorophenyl)sulfonyl]-1,3-benzoxazol-2-amine} 6,6'-bis{N-[(4-chlorophenyl)sulf…

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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) 6.40 -11.57 -18.65 2 10 0 144 615.476 7 ↓
    Hi High (pH 8-9.5) 6.40 -11.83 -84.11 0 10 -2 148 613.46 7 ↓
    Hi High (pH 8-9.5) 6.40 -11.7 -47.13 1 10 -1 146 614.468 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 6,6'-bis(2-{[(4-methylphenyl)sulfonyl]amino}-1,3-benzothiazole) 6,6'-bis(2-{[(4-methylphenyl)sul…

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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) 7.23 -9.65 -20.88 2 8 0 118 606.776 7 ↓
    Hi High (pH 8-9.5) 7.23 -8.52 -89.7 0 8 -2 122 604.76 7 ↓
    Hi High (pH 8-9.5) 7.23 -9.09 -51.38 1 8 -1 120 605.768 7 ↓

    Analogs

    16635573
    16635573
    16635579
    16635579
    16635627
    16635627
    25444270
    25444270

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-(anilinosulfonyl)-4-chloro-N-(2,4-dimethoxyphenyl)benzamide 3-(anilinosulfonyl)-4-chloro-N-(…

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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 -3.77 -15.93 2 7 0 93 446.912 7 ↓
    Hi High (pH 8-9.5) 4.24 -3.19 -50.68 1 7 -1 95 445.904 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-bromo-N-(4-bromo-3-methylphenyl)-2-thiophenesulfonamide 5-bromo-N-(4-bromo-3-methylpheny…

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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) 4.77 -5.8 -7.28 1 3 0 46 411.14 3 ↓
    Hi High (pH 8-9.5) 4.77 -5.23 -35.5 0 3 -1 48 410.132 3 ↓

    Analogs

    19926522
    19926522

    Draw Identity 99% 90% 80% 70%

    Popular Name: 7-benzyl-2-(4-chlorobenzyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one 7-benzyl-2-(4-chlorobenzyl)-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) 4.90 -1.25 -46.33 2 4 1 50 422.961 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-((2-hydroxy-6-methoxyquinolin-3-yl)methyl)-N-(2-methoxyphenyl)-2-phenoxyacetamide N-((2-hydroxy-6-methoxyquinolin-…

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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 -0.23 -17.15 1 7 0 80 444.487 8 ↓

    Analogs

    634138
    634138

    Draw Identity 99% 90% 80% 70%

    Popular Name: N,N-dibenzyl-2-methyl-3-oxo-3-(3,4,5-trimethoxyphenyl)propanamide N,N-dibenzyl-2-methyl-3-oxo-3-(3…

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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) 3.99 3.93 -19.64 0 6 0 65 447.531 10 ↓

    Analogs

    634140
    634140

    Draw Identity 99% 90% 80% 70%

    Popular Name: N,N-dibenzyl-2-methyl-3-oxo-3-(3,4,5-trimethoxyphenyl)propanamide N,N-dibenzyl-2-methyl-3-oxo-3-(3…

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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) 3.99 4.13 -19.82 0 6 0 65 447.531 10 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: Prop-1-ene-1,1-diyldibenzene Prop-1-ene-1,1-diyldibenzene

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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 2.47 -2.98 0 0 0 0 194.277 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[(3,5-diphenyl-1H-pyrazol-1-yl)methyl]-3,5-diphenyl-1H-pyrazole 1-[(3,5-diphenyl-1H-pyrazol-1-yl…

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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) 7.14 2.42 -14.66 0 4 0 35 452.561 6 ↓

    Analogs

    17197742
    17197742
    17197744
    17197744
    17197746
    17197746
    17197749
    17197749
    8442263
    8442263

    Draw Identity 99% 90% 80% 70%

    Popular Name: 7-isopropyl-4-methyl-2-[(5-methyl-2,3-diphenyl-4-isoxazolidinyl)carbonyl]-3-phenyl-4,5,6,7-tetrahydro-2H-indazole 7-isopropyl-4-methyl-2-[(5-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) 7.97 3.01 -9.06 0 5 0 47 519.689 5 ↓

    Analogs

    8442266
    8442266
    17197742
    17197742
    17197744
    17197744
    17197746
    17197746
    17197749
    17197749

    Draw Identity 99% 90% 80% 70%

    Popular Name: 7-isopropyl-4-methyl-2-[(5-methyl-2,3-diphenyl-4-isoxazolidinyl)carbonyl]-3-phenyl-4,5,6,7-tetrahydro-2H-indazole 7-isopropyl-4-methyl-2-[(5-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) 7.97 2.18 -7.57 0 5 0 47 519.689 5 ↓

    Parameters Provided:

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

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    SQL Query Was

    SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id  WHERE c.free = 1 AND c.short_name LIKE 'specs' AND ci.sub_id_fk IN (SELECT ci.sub_id_fk AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id  WHERE c.free = 1 AND c.purchasable IN (1,2,4,5)   )    LIMIT 50

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