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

    16556415
    16556415
    16559904
    16559904
    16563943
    16563943
    21762045
    21762045

    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) 3.60 12.38 -15.1 0 7 0 79 412.478 5 ↓

    Analogs

    5775903
    5775903

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(E)-(3,4-difluorobenzylidene)amino]-2-(5-phenyltetrazol-2-yl)acetamide N-[(E)-(3,4-difluorobenzylidene)…

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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 1.55 -22.49 1 7 0 85 342.309 5 ↓

    Analogs

    25266641
    25266641

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1-butyltetrazol-5-yl)methyl (1-butyltetrazol-5-yl)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) 2.51 -0.32 -15.97 2 9 0 111 374.445 10 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[1-(4-isopropylphenyl)tetrazol-5-yl]sulfanyl-2-phenyl-1-(1-piperidyl)ethanone 2-[1-(4-isopropylphenyl)tetrazol…

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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) 4.86 2.57 -9.47 0 6 0 63 421.57 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[1-(4-isopropylphenyl)tetrazol-5-yl]sulfanyl-2-phenyl-1-(1-piperidyl)ethanone 2-[1-(4-isopropylphenyl)tetrazol…

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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) 4.86 2.54 -9.31 0 6 0 63 421.57 6 ↓

    Analogs

    7081006
    7081006

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[1-(4-isopropylphenyl)tetrazol-5-yl]sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)-acetamide 2-[1-(4-isopropylphenyl)tetrazol…

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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 7.83 -15.71 1 8 0 91 385.497 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1S)-1-[3-chloro-4-(5-phenyltetrazol-2-yl)phenyl]ethanamine (1S)-1-[3-chloro-4-(5-phenyltetr…

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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) 1.39 6.97 -59.26 3 5 1 71 300.773 3 ↓
    Hi High (pH 8-9.5) 1.39 6.65 -8.76 2 5 0 70 299.765 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1R)-1-[3-chloro-4-(5-phenyltetrazol-2-yl)phenyl]ethanamine (1R)-1-[3-chloro-4-(5-phenyltetr…

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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) 1.39 6.96 -59.28 3 5 1 71 300.773 3 ↓
    Hi High (pH 8-9.5) 1.39 6.64 -8.58 2 5 0 70 299.765 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1S)-1-[3-bromo-4-(5-phenyltetrazol-2-yl)phenyl]ethanamine (1S)-1-[3-bromo-4-(5-phenyltetra…

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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 7.12 -59.18 3 5 1 71 345.224 3 ↓
    Hi High (pH 8-9.5) 1.52 6.8 -8.57 2 5 0 70 344.216 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1R)-1-[3-bromo-4-(5-phenyltetrazol-2-yl)phenyl]ethanamine (1R)-1-[3-bromo-4-(5-phenyltetra…

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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 7.11 -59.14 3 5 1 71 345.224 3 ↓
    Hi High (pH 8-9.5) 1.52 6.79 -8.34 2 5 0 70 344.216 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (E)-3-[3-[2-(1-methyltetrazol-5-yl)sulfanylethoxy]phenyl]prop-2-enoic (E)-3-[3-[2-(1-methyltetrazol-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) 1.87 6.94 -57.21 0 7 -1 93 305.339 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (E)-3-[4-[2-(1-methyltetrazol-5-yl)sulfanylethoxy]phenyl]prop-2-enoic (E)-3-[4-[2-(1-methyltetrazol-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) 1.89 6.95 -56.29 0 7 -1 93 305.339 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (E)-3-[2-[(1-methyltetrazol-5-yl)sulfanylmethyl]phenyl]prop-2-enoic (E)-3-[2-[(1-methyltetrazol-5-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) 1.58 7.21 -55.86 0 6 -1 84 275.313 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (E)-3-[4-[(1-methyltetrazol-5-yl)sulfanylmethyl]phenyl]prop-2-enoic (E)-3-[4-[(1-methyltetrazol-5-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) 1.80 7.37 -52.83 0 6 -1 84 275.313 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (E)-3-[4-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]phenyl]prop-2-enoic (E)-3-[4-methoxy-3-[(1-methyltet…

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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) 1.79 6.73 -53.28 0 7 -1 93 305.339 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (E)-3-[2-methoxy-5-[(1-methyltetrazol-5-yl)sulfanylmethyl]phenyl]prop-2-enoic (E)-3-[2-methoxy-5-[(1-methyltet…

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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 6.72 -58.58 0 7 -1 93 305.339 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (E)-3-[3-fluoro-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]phenyl]prop-2-enoic (E)-3-[3-fluoro-4-[(1-methyltetr…

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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 7.38 -52.13 0 6 -1 84 293.303 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (E)-3-[3-[(1-methyltetrazol-5-yl)sulfanylmethyl]phenyl]prop-2-enoic (E)-3-[3-[(1-methyltetrazol-5-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) 1.78 7.35 -53.35 0 6 -1 84 275.313 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (E)-3-[5-fluoro-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]phenyl]prop-2-enoic (E)-3-[5-fluoro-2-[(1-methyltetr…

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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) 1.72 7.28 -54.22 0 6 -1 84 293.303 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (E)-3-[2-fluoro-5-[(1-methyltetrazol-5-yl)sulfanylmethyl]phenyl]prop-2-enoic (E)-3-[2-fluoro-5-[(1-methyltetr…

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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) 1.72 7.4 -55.41 0 6 -1 84 293.303 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[(1-butyltetrazol-5-yl)methyl]-3-(4-methoxyphenyl)-imidazolidine-2,4,5-trione 1-[(1-butyltetrazol-5-yl)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) 0.42 2.45 -12.91 0 10 0 113 358.358 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (E)-3-[2-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]phenyl]prop-2-enoic (E)-3-[2-[(1-cyclopropyltetrazol…

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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 8.85 -56.41 0 6 -1 84 301.351 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (E)-3-[4-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]phenyl]prop-2-enoic (E)-3-[4-[(1-cyclopropyltetrazol…

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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) 2.17 9.01 -52.66 0 6 -1 84 301.351 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (E)-3-[3-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]phenyl]prop-2-enoic (E)-3-[3-[(1-cyclopropyltetrazol…

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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) 2.15 9 -53.26 0 6 -1 84 301.351 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(2-ethyltetrazol-5-yl)thiocarbamoyl]hexanamide N-[(2-ethyltetrazol-5-yl)thiocar…

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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) 1.83 7.07 -22.19 2 7 0 85 270.362 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(fluoren-9-ylideneamino)-2-(5-phenyltetrazol-2-yl)acetamide N-(fluoren-9-ylideneamino)-2-(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) 4.14 0.62 -23.52 1 7 0 85 380.411 4 ↓

    Analogs

    6138567
    6138567

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-butoxy-N-[(2-ethyltetrazol-5-yl)thiocarbamoyl]benzamide 4-butoxy-N-[(2-ethyltetrazol-5-y…

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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 -0.34 -21.92 2 8 0 93 348.432 9 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (4-butoxyphenyl)-dimethyl-BLAHone (4-butoxyphenyl)-dimethyl-BLAHone

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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 10.77 -14.05 1 7 0 82 367.453 5 ↓
    Mid Mid (pH 6-8) 3.91 11.06 -33.46 2 7 1 87 368.461 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (4-butoxyphenyl)BLAHone (4-butoxyphenyl)BLAHone

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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) 3.08 9.88 -15.16 1 7 0 82 339.399 5 ↓
    Mid Mid (pH 6-8) 3.25 10.13 -33.77 2 7 1 87 340.407 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (4-butoxyphenyl)-dimethyl-BLAHone (4-butoxyphenyl)-dimethyl-BLAHone

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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 10.78 -14.11 1 7 0 82 367.453 5 ↓
    Mid Mid (pH 6-8) 3.91 11.06 -33.09 2 7 1 87 368.461 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (4-butoxyphenyl)BLAHone (4-butoxyphenyl)BLAHone

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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) 3.08 9.87 -15.14 1 7 0 82 339.399 5 ↓
    Mid Mid (pH 6-8) 3.25 10.13 -33.59 2 7 1 87 340.407 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: methyl methyl

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.83 9.43 -13.58 1 9 0 100 373.413 8 ↓
    Hi High (pH 8-9.5) 2.08 8.34 -32.85 0 9 -1 107 372.405 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: isopropyl isopropyl

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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 11.07 -13.17 1 9 0 100 401.467 9 ↓
    Lo Low (pH 4.5-6) 3.74 11.23 -34.58 2 9 1 105 402.475 9 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: propyl propyl

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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) 3.71 11.16 -13 1 9 0 100 401.467 10 ↓
    Lo Low (pH 4.5-6) 3.88 11.32 -34.84 2 9 1 105 402.475 10 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (4-butoxy-3-methoxy-phenyl)-dimethyl-BLAHone (4-butoxy-3-methoxy-phenyl)-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) 3.32 10.67 -16.85 1 8 0 91 397.479 6 ↓
    Mid Mid (pH 6-8) 3.50 10.96 -37.4 2 8 1 96 398.487 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (4-butoxy-3-methoxy-phenyl)BLAHone (4-butoxy-3-methoxy-phenyl)BLAHone

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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 9.76 -18.09 1 8 0 91 369.425 6 ↓
    Mid Mid (pH 6-8) 2.84 10.04 -37.6 2 8 1 96 370.433 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: methyl methyl

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.83 9.41 -13.83 1 9 0 100 373.413 8 ↓
    Hi High (pH 8-9.5) 2.08 8.33 -33.02 0 9 -1 107 372.405 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: isopropyl isopropyl

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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 11.06 -13.55 1 9 0 100 401.467 9 ↓
    Lo Low (pH 4.5-6) 3.74 11.22 -34.59 2 9 1 105 402.475 9 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: propyl propyl

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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) 3.71 11.14 -13.33 1 9 0 100 401.467 10 ↓
    Lo Low (pH 4.5-6) 3.88 11.31 -34.86 2 9 1 105 402.475 10 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (4-butoxy-3-methoxy-phenyl)-dimethyl-BLAHone (4-butoxy-3-methoxy-phenyl)-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) 3.32 10.67 -17 1 8 0 91 397.479 6 ↓
    Mid Mid (pH 6-8) 3.50 10.96 -36.97 2 8 1 96 398.487 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (4-butoxy-3-methoxy-phenyl)BLAHone (4-butoxy-3-methoxy-phenyl)BLAHone

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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 9.76 -18.01 1 8 0 91 369.425 6 ↓
    Mid Mid (pH 6-8) 2.84 10.04 -37.47 2 8 1 96 370.433 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]aminothiophene-3-carboxamide 2-[2-[5-(4-bromophenyl)tetrazol-…

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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) 1.58 -3.34 -15.69 3 8 0 115 407.253 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-[[5-(4-bromophenyl)tetrazol-2-yl]methyl]-7-methyl-9-thia-2,6-diazabicyclo[4.3.0]nona-1,3,7-trien-5 3-[[5-(4-bromophenyl)tetrazol-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) 3.15 8.5 -39.24 1 7 1 79 404.273 3 ↓
    Mid Mid (pH 6-8) 3.15 8.1 -13.53 0 7 0 78 403.265 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[3-(p-tolyl)isoxazol-5-yl]-acetamide 2-[5-(4-fluorophenyl)tetrazol-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) 3.13 2.37 -24.55 1 8 0 98 378.367 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: Biphenyl-4-ylmethyl-[2-(1-methyl-1H-tetrazol-5-ylsulfanyl)-ethyl]-amine Biphenyl-4-ylmethyl-[2-(1-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) 3.21 0.67 -56.81 2 5 1 60 326.449 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-[(2,4-dichlorophenoxy)methyl]-1-phenyl-tetrazole 5-[(2,4-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) 3.63 2.29 -11.01 0 5 0 52 321.167 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-([1,1'-biphenyl]-4-ylmethyl)-N-(1-methyl-1H-tetraazol-5-yl)amine N-([1,1'-biphenyl]-4-ylmethyl)-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) 2.69 1.63 -10.38 1 5 0 55 265.32 4 ↓

    Analogs

    8253326
    8253326

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(5-bromo-2-methoxybenzyl)-N-(1-methyl-1H-tetraazol-5-yl)amine N-(5-bromo-2-methoxybenzyl)-N-(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) 1.69 0.4 -9.85 1 6 0 64 298.144 4 ↓

    Analogs

    37102088
    37102088

    Draw Identity 99% 90% 80% 70%


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    Popular Name:

    Find On: PubMed — Wikipedia — Google

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 1.49 1.19 -53.24 1 7 -1 95 254.229 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1S)-1-[3-chloro-4-(1-methyltetrazol-5-yl)sulfanyl-phenyl]-N-methyl-ethanamine (1S)-1-[3-chloro-4-(1-methyltetr…

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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 5.7 -50.12 2 5 1 60 284.796 4 ↓
    Hi High (pH 8-9.5) 2.49 4.53 -8.86 1 5 0 56 283.788 4 ↓

    Parameters Provided:

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    Structural Results Found: (before additional filtering)

    SQL Query Was

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    Permalink

    //zinc12.docking.org/results/combination?ring.id=1306&filter.purchasability=annotated

    Embed Link to Results

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