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    • Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
    UCSF
    ZINC Item Suppliers, Protomers, & Similar Substances

    Analogs

    2018949
    2018949

    Draw Identity 99% 90% 80% 70%

    Popular Name: R 10.100 R 10.100

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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) 2.80 2.73 -7.47 0 4 0 44 270.332 4 ↓

    Analogs

    2009618
    2009618

    Draw Identity 99% 90% 80% 70%

    Popular Name: traline traline

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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 2.4 -27.13 1 2 1 13 240.754 2 ↓

    Analogs

    967790
    967790

    Draw Identity 99% 90% 80% 70%

    Popular Name: SU-13437 SU-13437

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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) 4.39 11.98 -48.49 0 3 -1 49 309.385 4 ↓

    Analogs

    1846110
    1846110

    Draw Identity 99% 90% 80% 70%

    Popular Name: Tolnapersine Tolnapersine

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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 8.95 -45.14 2 3 1 28 323.46 2 ↓
    Mid Mid (pH 6-8) 4.13 6.69 -6.62 1 3 0 27 322.452 2 ↓

    Analogs

    37997273
    37997273
    37997274
    37997274
    37997275
    37997275
    37997276
    37997276
    4537671
    4537671

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-diethylamino-N-tetralin-2-yl-propanamide 3-diethylamino-N-tetralin-2-yl-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) 2.77 0.07 -40.04 2 3 1 33 275.416 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: tetralin-1-ylcarbamoylmethyl tetralin-1-ylcarbamoylmethyl

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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 0.21 -17.73 1 6 0 72 409.873 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: tetralin-1-ylcarbamoylmethyl tetralin-1-ylcarbamoylmethyl

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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 0.2 -17.79 1 6 0 72 409.873 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2-oxo-2-tetralin-2-yl-ethyl) (2-oxo-2-tetralin-2-yl-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) 5.08 14.36 -15.59 0 5 0 61 394.858 6 ↓

    Analogs

    5778691
    5778691

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-tetralin-1-yl-2-(7,7,9-trioxo-7$l^{6}-thia-8-azabicyclo[4.3.0]nona-2,4,10-trien-8-yl)-acetamide N-tetralin-1-yl-2-(7,7,9-trioxo-…

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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) 1.54 -5.66 -21.1 1 6 0 83 370.43 3 ↓

    Analogs

    5778688
    5778688

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-tetralin-1-yl-2-(7,7,9-trioxo-7$l^{6}-thia-8-azabicyclo[4.3.0]nona-2,4,10-trien-8-yl)-acetamide N-tetralin-1-yl-2-(7,7,9-trioxo-…

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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) 1.54 -5.67 -20.89 1 6 0 83 370.43 3 ↓

    Analogs

    5779282
    5779282
    5779284
    5779284
    5779289
    5779289

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-tetralin-1-yl-propanamide 2-[[5-(3,4-dimethylphenyl)-1,3,4…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 4.28 -2.55 -11.23 1 5 0 68 407.539 5 ↓

    Analogs

    5779284
    5779284
    5779289
    5779289
    5779280
    5779280

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-tetralin-1-yl-propanamide 2-[[5-(3,4-dimethylphenyl)-1,3,4…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 4.28 -2.56 -10.8 1 5 0 68 407.539 5 ↓

    Analogs

    5779289
    5779289
    5779280
    5779280
    5779282
    5779282

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-tetralin-1-yl-propanamide 2-[[5-(3,4-dimethylphenyl)-1,3,4…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 4.28 -2.61 -10.86 1 5 0 68 407.539 5 ↓

    Analogs

    5779280
    5779280
    5779282
    5779282

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-tetralin-1-yl-propanamide 2-[[5-(3,4-dimethylphenyl)-1,3,4…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 4.28 -2.62 -11.09 1 5 0 68 407.539 5 ↓

    Analogs

    4509098
    4509098

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2-oxo-2-tetralin-2-yl-ethyl) (2-oxo-2-tetralin-2-yl-ethyl)

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 4.41 3.41 -10.92 0 6 0 89 353.374 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[(1-oxido-2-pyridyl)sulfanyl]-1-tetralin-2-yl-ethanone 2-[(1-oxido-2-pyridyl)sulfanyl]-…

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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) 2.55 0.62 -31.23 0 3 0 42 299.395 4 ↓

    Analogs

    5742514
    5742514

    Draw Identity 99% 90% 80% 70%

    Popular Name: tetralin-2-yl tetralin-2-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) 3.05 2.15 -6.32 0 2 0 26 204.269 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1S)-1-[3-chloro-4-[(1R)-tetralin-1-yl]oxy-phenyl]ethanamine (1S)-1-[3-chloro-4-[(1R)-tetrali…

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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 8.56 -49.98 3 2 1 37 302.825 3 ↓
    Hi High (pH 8-9.5) 2.83 8.24 -5.28 2 2 0 35 301.817 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1R)-1-[3-chloro-4-[(1R)-tetralin-1-yl]oxy-phenyl]ethanamine (1R)-1-[3-chloro-4-[(1R)-tetrali…

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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 8.56 -49.93 3 2 1 37 302.825 3 ↓
    Hi High (pH 8-9.5) 2.83 8.26 -4.53 2 2 0 35 301.817 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1S)-1-[3-chloro-4-[(1S)-tetralin-1-yl]oxy-phenyl]ethanamine (1S)-1-[3-chloro-4-[(1S)-tetrali…

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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 8.57 -49.95 3 2 1 37 302.825 3 ↓
    Hi High (pH 8-9.5) 2.83 8.25 -5.25 2 2 0 35 301.817 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1R)-1-[3-chloro-4-[(1S)-tetralin-1-yl]oxy-phenyl]ethanamine (1R)-1-[3-chloro-4-[(1S)-tetrali…

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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 8.57 -49.94 3 2 1 37 302.825 3 ↓
    Hi High (pH 8-9.5) 2.83 8.27 -4.54 2 2 0 35 301.817 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1S)-1-[3-bromo-4-[(1R)-tetralin-1-yl]oxy-phenyl]ethanamine (1S)-1-[3-bromo-4-[(1R)-tetralin…

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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 8.67 -49.83 3 2 1 37 347.276 3 ↓
    Hi High (pH 8-9.5) 2.96 8.35 -5.23 2 2 0 35 346.268 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1R)-1-[3-bromo-4-[(1R)-tetralin-1-yl]oxy-phenyl]ethanamine (1R)-1-[3-bromo-4-[(1R)-tetralin…

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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 8.67 -49.85 3 2 1 37 347.276 3 ↓
    Hi High (pH 8-9.5) 2.96 8.38 -4.4 2 2 0 35 346.268 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1S)-1-[3-bromo-4-[(1S)-tetralin-1-yl]oxy-phenyl]ethanamine (1S)-1-[3-bromo-4-[(1S)-tetralin…

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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 8.68 -49.85 3 2 1 37 347.276 3 ↓
    Hi High (pH 8-9.5) 2.96 8.36 -5.11 2 2 0 35 346.268 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1R)-1-[3-bromo-4-[(1S)-tetralin-1-yl]oxy-phenyl]ethanamine (1R)-1-[3-bromo-4-[(1S)-tetralin…

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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 8.68 -49.82 3 2 1 37 347.276 3 ↓
    Hi High (pH 8-9.5) 2.96 8.38 -4.33 2 2 0 35 346.268 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2-oxo-2-tetralin-6-yl-ethyl) (2-oxo-2-tetralin-6-yl-ethyl)

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 4.16 12.44 -15.83 0 6 0 82 422.506 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(1-cyclohex-3-enylmethyl)-N-tetralin-1-yl-quinoline-8-carboxamide N-(1-cyclohex-3-enylmethyl)-N-te…

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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 1.17 -14.79 0 3 0 33 396.534 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(1-cyclohex-3-enylmethyl)-N-tetralin-1-yl-quinoline-8-carboxamide N-(1-cyclohex-3-enylmethyl)-N-te…

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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 1.26 -14.87 0 3 0 33 396.534 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(1-cyclohex-3-enylmethyl)-N-tetralin-1-yl-quinoline-8-carboxamide N-(1-cyclohex-3-enylmethyl)-N-te…

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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 1.55 -15.08 0 3 0 33 396.534 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(1-cyclohex-3-enylmethyl)-N-tetralin-1-yl-quinoline-8-carboxamide N-(1-cyclohex-3-enylmethyl)-N-te…

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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 1.44 -17.07 0 3 0 33 396.534 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(benzo[1,3]dioxol-5-ylmethyl)-1,5-dimethyl-N-tetralin-1-yl-pyrazole-3-carboxamide N-(benzo[1,3]dioxol-5-ylmethyl)-…

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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) 3.94 1.8 -16.05 0 6 0 56 403.482 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(benzo[1,3]dioxol-5-ylmethyl)-1,5-dimethyl-N-tetralin-1-yl-pyrazole-3-carboxamide N-(benzo[1,3]dioxol-5-ylmethyl)-…

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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) 3.94 1.92 -15.95 0 6 0 56 403.482 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-ylmethyl)-1,5-dimethyl-N-tetralin-1-yl-pyrazole-3-carb N-(2,5-dioxabicyclo[4.4.0]deca-7…

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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) 3.56 1.82 -15.72 0 6 0 56 417.509 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-ylmethyl)-1,5-dimethyl-N-tetralin-1-yl-pyrazole-3-carb N-(2,5-dioxabicyclo[4.4.0]deca-7…

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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) 3.56 2.06 -14.44 0 6 0 56 417.509 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-tetralin-6-ylpyridine-3-carboxylic 5-tetralin-6-ylpyridine-3-carbox…

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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 9.18 -46.82 0 3 -1 53 252.293 2 ↓
    Lo Low (pH 4.5-6) 3.40 9.63 -44.37 1 3 0 54 253.301 2 ↓

    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) 2.94 6.6 -10.31 2 4 0 50 296.37 3 ↓

    Analogs

    4872118
    4872118

    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) 2.94 6.64 -10.25 2 4 0 50 296.37 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-methyl-1-propanoyl-N-tetralin-1-yl-indoline-5-sulfonamide 2-methyl-1-propanoyl-N-tetralin-…

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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) 3.30 -3.97 -13.46 1 5 0 66 398.528 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-methyl-1-propanoyl-N-tetralin-1-yl-indoline-5-sulfonamide 2-methyl-1-propanoyl-N-tetralin-…

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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) 3.30 -3.97 -13.46 1 5 0 66 398.528 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-methyl-1-propanoyl-N-tetralin-1-yl-indoline-5-sulfonamide 2-methyl-1-propanoyl-N-tetralin-…

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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) 3.30 -3.99 -12.68 1 5 0 66 398.528 4 ↓

    Analogs

    35480158
    35480158
    35480159
    35480159

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-methyl-1-propanoyl-N-tetralin-1-yl-indoline-5-sulfonamide 2-methyl-1-propanoyl-N-tetralin-…

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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) 3.30 -4.01 -12.57 1 5 0 66 398.528 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[[4-ethyl-5-(tetralin-2-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-y 2-[[4-ethyl-5-(tetralin-2-yloxym…

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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) 2.93 -0.62 -20.92 1 8 0 94 444.586 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(methylamino)-N-tetralin-5-yl-ethanesulfonamide 2-(methylamino)-N-tetralin-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) 2.12 4.01 -55.83 2 4 0 65 268.382 5 ↓
    Lo Low (pH 4.5-6) 2.12 3.93 -48.05 3 4 1 63 269.39 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[5-(3-fluorophenyl)tetrazol-2-yl]-1-tetralin-2-yl-ethanone 2-[5-(3-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) 3.90 2.6 -14.65 0 5 0 60 336.37 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-methyl-N1-tetralin-5-yl-benzene-1,3-diamine 4-methyl-N1-tetralin-5-yl-benzen…

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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) 4.95 8.04 -4.15 3 2 0 38 252.361 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-allyl-4-tetralin-2-ylsulfonylamino-butanamide N-allyl-4-tetralin-2-ylsulfonyla…

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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) 2.48 4.48 -15.05 2 5 0 75 336.457 8 ↓

    Analogs

    8271620
    8271620

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    Popular Name: 2-[(methyl-tetralin-1-yl-carbamoyl)methoxy]-N-phenyl-benzamide 2-[(methyl-tetralin-1-yl-carbamo…

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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) 5.10 1.91 -24.74 1 5 0 58 414.505 6 ↓

    Analogs

    8271613
    8271613

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[(methyl-tetralin-1-yl-carbamoyl)methoxy]-N-phenyl-benzamide 2-[(methyl-tetralin-1-yl-carbamo…

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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) 5.10 1.97 -24.78 1 5 0 58 414.505 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-methyl-N1-[(2R)-tetralin-2-yl]benzene-1,3-diamine 4-methyl-N1-[(2R)-tetralin-2-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) 4.62 7.46 -4.27 3 2 0 38 252.361 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-methyl-N1-[(2S)-tetralin-2-yl]benzene-1,3-diamine 4-methyl-N1-[(2S)-tetralin-2-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) 4.62 7.46 -4.26 3 2 0 38 252.361 2 ↓

    Parameters Provided:

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filter.purchasability = annotated
page.format = targets
page.num = 1

    Structural Results Found: (before additional filtering)

    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 INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 212 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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    //zinc12.docking.org/results/combination?ring.id=212&filter.purchasability=annotated

    Embed Link to Results

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