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

    Analogs

    32110924
    32110924
    32110926
    32110926

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[(Furan-2-carbonyl)-amino]-3-phenyl-propionic acid 2-[(Furan-2-carbonyl)-amino]-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) -0.03 6.56 -55.27 1 5 -1 82 258.253 5 ↓

    Analogs

    1194974
    1194974

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-(3-Allyl-4-oxo-thiazolidin-2-ylideneamino)-benzoic acid 4-(3-Allyl-4-oxo-thiazolidin-2-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) 2.21 7.73 -48.87 0 5 -1 73 275.309 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(4-Thiophen-2-yl-thiazol-2-yl)-phthalamic acid N-(4-Thiophen-2-yl-thiazol-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) 2.86 -1.59 -61.58 1 5 -1 82 329.382 4 ↓

    Analogs

    19933489
    19933489
    383286
    383286

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(4-methylbenzyl)piperazine 1-(4-methylbenzyl)piperazine

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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 4.11 -39.46 2 2 1 20 191.298 2 ↓
    Hi High (pH 8-9.5) 1.49 2.7 -2.71 1 2 0 15 190.29 2 ↓

    Analogs

    19933485
    19933485
    32108366
    32108366
    34454605
    34454605

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(2-methylbenzyl)piperazine 1-(2-methylbenzyl)piperazine

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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) 1.44 4.61 -38.47 2 2 1 20 191.298 2 ↓
    Hi High (pH 8-9.5) 1.44 3.25 -2.36 1 2 0 15 190.29 2 ↓

    Analogs

    32121418
    32121418
    39318905
    39318905

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(4-chlorobenzyl)piperazine 1-(4-chlorobenzyl)piperazine

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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 4.14 -39.8 2 2 1 20 211.716 2 ↓
    Hi High (pH 8-9.5) 1.72 2.78 -2.43 1 2 0 15 210.708 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: MFCD01005032 MFCD01005032

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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) 0.40 4.45 -53.05 1 5 -1 82 207.209 4 ↓
    Lo Low (pH 4.5-6) 0.40 4.22 -52.51 2 5 0 83 208.217 4 ↓

    Analogs

    41656174
    41656174
    41656281
    41656281
    4465877
    4465877

    Draw Identity 99% 90% 80% 70%

    Popular Name: MFCD01923299 MFCD01923299

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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) 6.17 10.8 -54.86 1 3 0 54 311.425 1 ↓

    Analogs

    34568728
    34568728
    38221018
    38221018

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-Methoxy-1-naphthoic acid 4-Methoxy-1-naphthoic 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) 2.68 0.97 -54.03 0 3 -1 49 201.201 2 ↓
    Hi High (pH 8-9.5) 3.72 6.83 -7.87 0 4 0 40 312.078 4 ↓

    Analogs

    4817621
    4817621
    4817622
    4817622
    37044936
    37044936
    37044937
    37044937
    37044938
    37044938

    Draw Identity 99% 90% 80% 70%

    Popular Name: MFCD06799751 MFCD06799751

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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 5.24 -43.35 4 5 1 83 293.387 8 ↓
    Mid Mid (pH 6-8) 1.59 5.4 -9.73 3 5 0 81 292.379 8 ↓

    Analogs

    4817620
    4817620
    4817621
    4817621
    4817622
    4817622
    37044936
    37044936
    37044937
    37044937

    Draw Identity 99% 90% 80% 70%

    Popular Name: MFCD06799751 MFCD06799751

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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 5.41 -43.09 4 5 1 83 293.387 8 ↓
    Mid Mid (pH 6-8) 1.59 5.43 -9.47 3 5 0 81 292.379 8 ↓

    Analogs

    4817622
    4817622
    37044936
    37044936
    37044937
    37044937
    37044938
    37044938
    37044939
    37044939

    Draw Identity 99% 90% 80% 70%

    Popular Name: MFCD06799751 MFCD06799751

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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 5.24 -43.51 4 5 1 83 293.387 8 ↓
    Mid Mid (pH 6-8) 1.59 5.38 -9.99 3 5 0 81 292.379 8 ↓

    Analogs

    37044936
    37044936
    37044937
    37044937
    37044938
    37044938
    37044939
    37044939
    53113531
    53113531

    Draw Identity 99% 90% 80% 70%

    Popular Name: MFCD06799751 MFCD06799751

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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 5.41 -42.92 4 5 1 83 293.387 8 ↓
    Mid Mid (pH 6-8) 1.59 5.42 -11.03 3 5 0 81 292.379 8 ↓

    Analogs

    4291753
    4291753
    4291754
    4291754

    Draw Identity 99% 90% 80% 70%

    Popular Name: MFCD01821271 MFCD01821271

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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) -0.16 4.55 -30.62 2 4 0 66 239.296 3 ↓

    Analogs

    4291753
    4291753
    4291754
    4291754
    35005
    35005
    35006
    35006

    Draw Identity 99% 90% 80% 70%

    Popular Name: MFCD01821271 MFCD01821271

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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) -0.16 4.71 -31.37 2 4 0 66 239.296 3 ↓

    Analogs

    52530377
    52530377
    52530378
    52530378
    52530380
    52530380
    52530381
    52530381
    4291753
    4291753

    Draw Identity 99% 90% 80% 70%

    Popular Name: MFCD01821271 MFCD01821271

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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) -0.16 4.75 -31.8 2 4 0 66 239.296 3 ↓

    Analogs

    4291754
    4291754
    52530377
    52530377
    52530378
    52530378
    52530380
    52530380
    52530381
    52530381

    Draw Identity 99% 90% 80% 70%

    Popular Name: MFCD01821271 MFCD01821271

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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) -0.16 4.37 -30.45 2 4 0 66 239.296 3 ↓

    Analogs

    35506124
    35506124
    35506127
    35506127

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(3,4,5-Trimethoxy-phenyl)-thiazolidine 2-(3,4,5-Trimethoxy-phenyl)-thia…

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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 4.42 -50.19 2 4 1 44 256.347 4 ↓
    Hi High (pH 8-9.5) 1.69 3.48 -8.69 1 4 0 40 255.339 4 ↓

    Analogs

    35506124
    35506124
    35506127
    35506127

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(3,4,5-Trimethoxy-phenyl)-thiazolidine 2-(3,4,5-Trimethoxy-phenyl)-thia…

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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 4.4 -49.97 2 4 1 44 256.347 4 ↓
    Hi High (pH 8-9.5) 1.69 3.04 -9.06 1 4 0 40 255.339 4 ↓

    Analogs

    4905922
    4905922

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(1,3-Dioxo-1H,H-benzo[de]isoquinolin-2-yl)-propionic acid 2-(1,3-Dioxo-1H,H-benzo[de]isoqu…

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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) 1.67 0.99 -67 0 5 -1 79 268.248 2 ↓

    Analogs

    4905924
    4905924

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(1,3-Dioxo-1H,H-benzo[de]isoquinolin-2-yl)-propionic acid 2-(1,3-Dioxo-1H,H-benzo[de]isoqu…

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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) 1.67 0.99 -67.02 0 5 -1 79 268.248 2 ↓

    Analogs

    34977902
    34977902
    34977906
    34977906
    36524779
    36524779
    5180258
    5180258
    6530212
    6530212

    Draw Identity 99% 90% 80% 70%

    Popular Name: [(5-phenyl-4H-1,2,4-triazol-3-yl)thio]acetic acid [(5-phenyl-4H-1,2,4-triazol-3-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) 1.67 6.43 -42.65 1 5 -1 82 234.26 4 ↓
    Hi High (pH 8-9.5) 1.67 6.23 -104.59 0 5 -2 80 233.252 4 ↓

    Analogs

    37791720
    37791720
    37791721
    37791721
    37791722
    37791722
    37791723
    37791723
    37796640
    37796640

    Draw Identity 99% 90% 80% 70%


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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) 2.23 6.89 -43.34 1 4 -1 69 250.318 3 ↓

    Analogs

    37791720
    37791720
    37791721
    37791721
    37791722
    37791722
    37791723
    37791723
    37796640
    37796640

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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) 2.23 7.02 -63.22 1 4 -1 69 250.318 3 ↓

    Analogs

    37791720
    37791720
    37791721
    37791721
    37791722
    37791722
    37791723
    37791723
    37796640
    37796640

    Draw Identity 99% 90% 80% 70%


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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) 2.23 6.86 -55.15 1 4 -1 69 250.318 3 ↓

    Analogs

    37791720
    37791720
    37791721
    37791721
    37791722
    37791722
    37791723
    37791723
    37796640
    37796640

    Draw Identity 99% 90% 80% 70%


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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) 2.23 7.3 -44.35 1 4 -1 69 250.318 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: MFCD02047690 MFCD02047690

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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) 4.23 10.72 -59.05 0 3 -1 52 324.425 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(6,7-Dimethoxy-3,3-dimethyl-3,4-dihydro-isoquinolin-1-ylmethylsulfanyl)-benzoic acid 2-(6,7-Dimethoxy-3,3-dimethyl-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) 3.85 9.94 -60.42 0 5 -1 71 384.477 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-pyrid-3-yl-4,5-dihydro-1,3-thiazole-4-carboxylic acid 2-pyrid-3-yl-4,5-dihydro-1,3-thi…

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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) -1.24 3.41 -34 1 4 0 67 208.242 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-pyrid-3-yl-4,5-dihydro-1,3-thiazole-4-carboxylic acid 2-pyrid-3-yl-4,5-dihydro-1,3-thi…

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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) -1.24 3.41 -34.03 1 4 0 67 208.242 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-Trifluoromethyl-1H-benzoimidazole-5-carboxylic acid 2-Trifluoromethyl-1H-benzoimidaz…

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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) 2.32 4.83 -47.79 1 4 -1 69 229.137 2 ↓

    Analogs

    6273132
    6273132

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3,5-Bis-(cyclohexanecarbonyl-amino)-benzoic acid 3,5-Bis-(cyclohexanecarbonyl-ami…

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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) 4.71 -1.57 -62.42 2 6 -1 98 371.457 5 ↓

    Analogs

    4929862
    4929862
    12908827
    12908827

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-Piperazin-1-yl-benzothiazole 2-Piperazin-1-yl-benzothiazole

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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 5.51 -49.41 2 3 1 33 220.321 1 ↓
    Hi High (pH 8-9.5) 1.89 4.21 -7.34 1 3 0 28 219.313 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(1H-benzimidazol-2-yl)ethanamine hydrochloride 1-(1H-benzimidazol-2-yl)ethanami…

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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) -0.60 2.03 -53.24 4 3 1 56 162.216 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(1H-benzimidazol-2-yl)ethanamine hydrochloride 1-(1H-benzimidazol-2-yl)ethanami…

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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) -0.60 1.74 -46.42 4 3 1 56 162.216 1 ↓

    Analogs

    5954318
    5954318

    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) 1.51 0.56 -49.2 1 6 -1 95 298.34 7 ↓

    Analogs

    4135987
    4135987
    4135988
    4135988
    4135989
    4135989
    37980931
    37980931
    37980932
    37980932

    Draw Identity 99% 90% 80% 70%

    Popular Name: MFCD02081102 MFCD02081102

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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) -0.64 -1.5 -54.26 3 5 1 84 232.281 3 ↓
    Mid Mid (pH 6-8) -0.64 -2.72 -14.17 2 5 0 80 231.273 3 ↓

    Analogs

    4135989
    4135989
    37980931
    37980931
    37980932
    37980932
    37980933
    37980933
    37980934
    37980934

    Draw Identity 99% 90% 80% 70%

    Popular Name: MFCD02081102 MFCD02081102

    Find On: PubMed — Wikipedia — Google

    Activity (Go SEA)

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) -0.64 -1.99 -59.13 3 5 1 84 232.281 3 ↓
    Mid Mid (pH 6-8) -0.64 -3.23 -14.56 2 5 0 80 231.273 3 ↓

    Analogs

    4135988
    4135988
    4135989
    4135989
    37980931
    37980931
    37980932
    37980932
    37980933
    37980933

    Draw Identity 99% 90% 80% 70%

    Popular Name: MFCD02081102 MFCD02081102

    Find On: PubMed — Wikipedia — Google

    Activity (Go SEA)

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) -0.64 -2.09 -57.2 3 5 1 84 232.281 3 ↓
    Mid Mid (pH 6-8) -0.64 -3.26 -15.27 2 5 0 80 231.273 3 ↓

    Analogs

    37980931
    37980931
    37980932
    37980932
    37980933
    37980933
    37980934
    37980934
    4135986
    4135986

    Draw Identity 99% 90% 80% 70%

    Popular Name: MFCD02081102 MFCD02081102

    Find On: PubMed — Wikipedia — Google

    Activity (Go SEA)

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) -0.64 -1.69 -54.52 3 5 1 84 232.281 3 ↓
    Mid Mid (pH 6-8) -0.64 -2.85 -14.28 2 5 0 80 231.273 3 ↓

    Analogs

    42101119
    42101119
    42102546
    42102546

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2,3-Dioxo-2,3-dihydro-indol-1-yl)-acetic acid (2,3-Dioxo-2,3-dihydro-indol-1-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) 0.14 4.24 -52.13 0 5 -1 79 204.161 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-Benzotriazol-1-yl-propionic acid 3-Benzotriazol-1-yl-propionic 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) 0.87 4.5 -45.36 0 5 -1 71 190.182 3 ↓

    Analogs

    42442752
    42442752

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-morpholinobenzoic acid 4-morpholinobenzoic 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) 1.80 2.91 -50.86 0 4 -1 53 206.221 2 ↓

    Analogs

    40174717
    40174717
    40175599
    40175599

    Draw Identity 99% 90% 80% 70%

    Popular Name: (9-oxoacridin-10(9H)-yl)acetic acid (9-oxoacridin-10(9H)-yl)acetic 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) 1.10 8.7 -46.74 0 4 -1 62 252.249 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-(1-Methyl-1H-benzoimidazol-2-ylsulfanyl)-propionic acid 3-(1-Methyl-1H-benzoimidazol-2-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) 1.93 6.81 -53.28 0 4 -1 58 235.288 4 ↓

    Analogs

    41678677
    41678677

    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) 1.39 5.86 -39.65 0 6 -1 84 241.296 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (4,6-Dimethyl-pyrimidin-2-ylsulfanyl)-acetic acid (4,6-Dimethyl-pyrimidin-2-ylsulf…

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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 5.01 -48.43 0 4 -1 66 197.239 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2,2-Dimethyl-tetrahydro-pyran-4-yl)-furan-2-ylmethyl-amine (2,2-Dimethyl-tetrahydro-pyran-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) 1.94 4.59 -40.94 2 3 1 39 210.297 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2,2-Dimethyl-tetrahydro-pyran-4-yl)-furan-2-ylmethyl-amine (2,2-Dimethyl-tetrahydro-pyran-4…

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    Activity (Go SEA)

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 1.94 4.61 -40.7 2 3 1 39 210.297 3 ↓

    Analogs

    519655
    519655
    519656
    519656
    519653
    519653

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-(2,2-Dimethyl-tetrahydro-pyran-4-yl)-4-phenyl-butyric acid 3-(2,2-Dimethyl-tetrahydro-pyran…

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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 1 -48.64 0 3 -1 49 275.368 5 ↓

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