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    Analogs

    37828132
    37828132

    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) -0.53 2.67 -46.9 2 6 0 87 238.243 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(2-Furoylamino)-1,3-thiazole-4-carboxylic acid 2-(2-Furoylamino)-1,3-thiazole-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) 0.95 2.41 -55.62 1 6 -1 95 237.216 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3,4-Diacetoxy-benzoic acid 3,4-Diacetoxy-benzoic 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) 0.49 7.75 -55.91 0 6 -1 93 237.187 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-(3,4-difluorophenyl)-1-methyl-1{H}-pyrazole-5-carboxylic acid 3-(3,4-difluorophenyl)-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) 2.13 5.62 -41.6 0 4 -1 58 237.185 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-methoxy-2-[(4-methylpiperazin-1-yl)methyl]pyridin-4-ol 5-methoxy-2-[(4-methylpiperazin-…

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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) -0.36 2.38 -67.67 2 5 1 50 238.311 3 ↓
    Mid Mid (pH 6-8) -0.36 -0.09 -31.41 1 5 0 49 237.303 3 ↓
    Mid Mid (pH 6-8) -0.36 2.23 -79.36 2 5 1 50 238.311 3 ↓

    Analogs

    12230035
    12230035
    12230039
    12230039
    4137850
    4137850

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    Popular Name: F2146-0086 F2146-0086

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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) 2.01 -4 -51.1 2 3 1 33 238.311 1 ↓

    Analogs

    12229988
    12229988
    12229992
    12229992

    Draw Identity 99% 90% 80% 70%

    Popular Name: F2146-0079 F2146-0079

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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) 2.03 -4 -49.18 2 3 1 33 238.311 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: BRD-A74699940-001-01-8 BRD-A74699940-001-01-8

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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) 1.50 4.55 -50.44 0 4 -1 62 236.272 4 ↓

    Analogs

    6118718
    6118718

    Draw Identity 99% 90% 80% 70%

    Popular Name: BRD-A74699940-001-01-8 BRD-A74699940-001-01-8

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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) 1.50 5.05 -49.73 0 4 -1 62 236.272 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-(4-Chloropyrazol-1-ylmethyl)benzoic acid 3-(4-Chloropyrazol-1-ylmethyl)be…

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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) 2.47 7.21 -50.96 0 4 -1 58 235.65 3 ↓

    Analogs

    34925308
    34925308

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-(4-Chloro-pyrazol-1-ylmethyl)benzoic acid 4-(4-Chloro-pyrazol-1-ylmethyl)b…

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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) 2.50 7.22 -53.29 0 4 -1 58 235.65 3 ↓

    Analogs

    11919864
    11919864

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]pyridin-4-ol 5-methoxy-2-[(4-methylpiperidin-…

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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) 0.90 5.61 -77.9 2 4 1 47 237.323 3 ↓
    Hi High (pH 8-9.5) 1.81 5.21 -49.09 1 4 0 50 236.315 3 ↓

    Analogs

    36883396
    36883396

    Draw Identity 99% 90% 80% 70%

    Popular Name: [1-(3,4-Dimethoxyphenyl)-3-pyrrolidinyl]methanamine [1-(3,4-Dimethoxyphenyl)-3-pyrro…

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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) 0.99 2.01 -52.09 3 4 1 49 237.323 4 ↓

    Analogs

    36883396
    36883396

    Draw Identity 99% 90% 80% 70%

    Popular Name: [1-(3,4-Dimethoxyphenyl)-3-pyrrolidinyl]methanamine [1-(3,4-Dimethoxyphenyl)-3-pyrro…

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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) 0.99 2.17 -51.48 3 4 1 49 237.323 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-(1-ethyl-2-methylene-1,2-dihydropyridin-3-yl)-4-methyl-4H-1,2,4-triazole-3-thiol 5-(1-ethyl-2-methylene-1,2-dihyd…

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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) 1.00 6.45 -63.82 0 5 -1 53 235.292 2 ↓
    Lo Low (pH 4.5-6) 0.28 6.62 -23.6 1 5 0 56 236.3 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-ethyl-5-(5-mercapto-4-methyl-4H-1,2,4-triazol-3-yl)pyridin-2(1H)-one 1-ethyl-5-(5-mercapto-4-methyl-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) 1.33 6.43 -43.94 0 5 -1 53 235.292 2 ↓
    Lo Low (pH 4.5-6) 0.60 6.59 -18.98 1 5 0 56 236.3 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (7-Methoxy-1-benzofuran-2-yl)methyl imidothiocarbamate (7-Methoxy-1-benzofuran-2-yl)met…

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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) 2.08 3.42 -40.5 4 4 1 74 237.304 4 ↓
    Hi High (pH 8-9.5) 2.08 3.42 -10.3 3 4 0 72 236.296 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5-Methoxy-1-benzofuran-2-yl)methyl imidothiocarbamate hydrobromide (5-Methoxy-1-benzofuran-2-yl)met…

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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) 2.11 3.41 -40.12 4 4 1 74 237.304 4 ↓
    Hi High (pH 8-9.5) 2.11 3.41 -8.09 3 4 0 72 236.296 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 7-(4-fluorophenyl)-6,7-dihydro-5H-imidazo[2,1-c][1,2,4]triazole-3-thiol 7-(4-fluorophenyl)-6,7-dihydro-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) 1.59 9.38 -16.89 1 4 0 37 236.275 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [6-oxo-3-(2-thienyl)pyridazin-1(6{H})-yl]acetic acid [6-oxo-3-(2-thienyl)pyridazin-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) 0.84 4.49 -55.66 0 5 -1 75 235.244 3 ↓

    Analogs

    36777717
    36777717

    Draw Identity 99% 90% 80% 70%

    Popular Name: 6-oxo-1-(2-thienylmethyl)-1,6-dihydropyridazine-3-carboxylic acid 6-oxo-1-(2-thienylmethyl)-1,6-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) 1.06 4.25 -44.01 0 5 -1 75 235.244 3 ↓

    Analogs

    34959262
    34959262
    34959263
    34959263
    36721614
    36721614

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(4-fluorophenyl)-4-methoxy-1H-pyrazole-3-carboxylic acid 1-(4-fluorophenyl)-4-methoxy-1H-…

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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) 1.62 4.85 -61.4 0 5 -1 67 235.194 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-Chloro-6-(4-nitrophenyl)pyridazine 3-Chloro-6-(4-nitrophenyl)pyrida…

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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) 3.06 1.54 -11.89 0 5 0 71 235.63 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-chloro-6-(3-nitrophenyl)pyridazine 3-chloro-6-(3-nitrophenyl)pyrida…

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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) 3.03 1.53 -17.18 0 5 0 72 235.63 2 ↓

    Analogs

    41651363
    41651363
    41651497
    41651497
    3210857
    3210857

    Draw Identity 99% 90% 80% 70%

    Popular Name: F2182-0054 F2182-0054

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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) 2.81 7.06 -43.77 2 3 1 29 236.364 4 ↓
    Hi High (pH 8-9.5) 2.81 4.54 -8.18 1 3 0 28 235.356 4 ↓

    Analogs

    34434918
    34434918
    36450320
    36450320
    2580783
    2580783

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethylamine 2-[4-(2-Methoxy-phenyl)-piperazi…

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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) 0.75 0.78 -46.97 3 4 1 43 236.339 4 ↓

    Analogs

    26424292
    26424292

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-[5-(2-furyl)-1,3,4-thiadiazol-2-yl]piperidine 3-[5-(2-furyl)-1,3,4-thiadiazol-…

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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) 1.13 4.07 -49.07 2 4 1 56 236.32 2 ↓

    Analogs

    26424288
    26424288

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    Popular Name: 3-[5-(2-furyl)-1,3,4-thiadiazol-2-yl]piperidine 3-[5-(2-furyl)-1,3,4-thiadiazol-…

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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) 1.13 4.06 -49.07 2 4 1 56 236.32 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-[5-(2-furyl)-1,3,4-thiadiazol-2-yl]piperidine 4-[5-(2-furyl)-1,3,4-thiadiazol-…

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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) 1.13 4.08 -49.67 2 4 1 56 236.32 2 ↓

    Analogs

    26424253
    26424253

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3S)-3-[5-(2-thienyl)-1,3,4-oxadiazol-2-yl]piperidine (3S)-3-[5-(2-thienyl)-1,3,4-oxad…

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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) 0.95 0.96 -48.42 2 4 1 56 236.32 2 ↓

    Analogs

    26424249
    26424249

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3R)-3-[5-(2-thienyl)-1,3,4-oxadiazol-2-yl]piperidine (3R)-3-[5-(2-thienyl)-1,3,4-oxad…

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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) 0.95 0.96 -48.42 2 4 1 56 236.32 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-[5-(2-thienyl)-1,3,4-oxadiazol-2-yl]piperidine 4-[5-(2-thienyl)-1,3,4-oxadiazol…

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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) 0.95 0.97 -49.22 2 4 1 56 236.32 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: F1967-0226 F1967-0226

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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) -0.01 0.59 -57.92 5 5 1 86 236.295 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-oxo-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a(1H)-carboxylic acid 1-oxo-2,3-dihydropyrrolo[2,1-b][…

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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) 0.84 6.4 -50.46 0 4 -1 60 234.256 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-oxo-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a(1H)-carboxylic acid 1-oxo-2,3-dihydropyrrolo[2,1-b][…

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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) 0.84 6.36 -50.5 0 4 -1 60 234.256 1 ↓

    Analogs

    60710433
    60710433
    2529148
    2529148

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-(5-bromo-2-thienyl)propanoic 3-(5-bromo-2-thienyl)propanoic

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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) 2.47 5.55 -42.4 0 2 -1 40 234.094 3 ↓

    Analogs

    34962836
    34962836
    34962838
    34962838
    36230187
    36230187
    26423031
    26423031

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(2-methoxyethyl)-5-phenyl-1,3-dihydro-2H-imidazole-2-thione 1-(2-methoxyethyl)-5-phenyl-1,3-…

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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) 1.64 7.03 -17.3 1 3 0 30 234.324 4 ↓

    Analogs

    161848
    161848

    Draw Identity 99% 90% 80% 70%

    Popular Name: [2-mercapto-1-(4-methylbenzyl)-1H-imidazol-5-yl]methanol [2-mercapto-1-(4-methylbenzyl)-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) 1.60 5.62 -19.38 2 3 0 41 234.324 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-tert-butyl-4-isopropyl-1,6-dihydro-7H-pyrazolo[3,4-d]pyridazin-7-one 1-tert-butyl-4-isopropyl-1,6-dih…

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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 2.91 -44.6 0 5 -1 67 233.295 2 ↓
    Lo Low (pH 4.5-6) 2.19 3.73 -8.27 1 5 0 64 234.303 2 ↓

    Analogs

    37140429
    37140429
    37140430
    37140430
    37140529
    37140529
    37140530
    37140530
    12909525
    12909525

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[2-(4-Methoxyphenyl)-1-pyrrolidinyl]acetamide 2-[2-(4-Methoxyphenyl)-1-pyrroli…

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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) 1.12 3.7 -37.1 3 4 1 57 235.307 4 ↓

    Analogs

    12909529
    12909529
    37140429
    37140429
    37140430
    37140430
    37140529
    37140529
    37140530
    37140530

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[2-(4-Methoxyphenyl)-1-pyrrolidinyl]acetamide 2-[2-(4-Methoxyphenyl)-1-pyrroli…

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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) 1.12 3.89 -37.92 3 4 1 57 235.307 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidinyl]methanamine [1-(2,3-Dihydro-1,4-benzodioxin-…

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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) 0.86 1.94 -50.9 3 4 1 49 235.307 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidinyl]methanamine [1-(2,3-Dihydro-1,4-benzodioxin-…

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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) 0.86 2.09 -49.03 3 4 1 49 235.307 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-[2-(3-pyridyl)thiazol-4-yl]propanoic 3-[2-(3-pyridyl)thiazol-4-yl]pro…

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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) 1.65 4.86 -52.37 0 4 -1 66 233.272 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(1,3-benzodioxol-5-ylmethyl)-1H-imidazole-2-thiol 1-(1,3-benzodioxol-5-ylmethyl)-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) 1.47 6.41 -24.91 1 4 0 39 234.28 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-Mercapto-6-(4-methoxyphenyl)pyrimidin-4(3H)-one 2-Mercapto-6-(4-methoxyphenyl)py…

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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 4.21 -11.53 2 4 0 58 234.28 2 ↓
    Mid Mid (pH 6-8) 1.85 2.89 -36.97 1 4 -1 61 233.272 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 6-(2-methoxyphenyl)-2-thioxo-2,3-dihydropyrimidin-4(1{H})-one 6-(2-methoxyphenyl)-2-thioxo-2,3…

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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) 1.35 4.29 -11.49 2 4 0 58 234.28 2 ↓
    Mid Mid (pH 6-8) 1.80 3.89 -40.8 1 4 -1 61 233.272 2 ↓

    Analogs

    26422974
    26422974

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(3,4-difluorophenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine 1-(3,4-difluorophenyl)-1,2,3,4-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) 2.61 7.21 -55.22 2 2 1 22 235.257 1 ↓
    Mid Mid (pH 6-8) 2.61 6.08 -6.87 1 2 0 17 234.249 1 ↓

    Analogs

    26422972
    26422972

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(3,4-difluorophenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine 1-(3,4-difluorophenyl)-1,2,3,4-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) 2.61 7.19 -55.15 2 2 1 22 235.257 1 ↓
    Mid Mid (pH 6-8) 2.61 5.81 -6.75 1 2 0 17 234.249 1 ↓

    Analogs

    26506352
    26506352

    Draw Identity 99% 90% 80% 70%

    Popular Name: F2135-0225 F2135-0225

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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) 1.12 4.34 -61.78 0 6 -1 84 233.203 2 ↓
    Lo Low (pH 4.5-6) 1.12 3.5 -14.26 1 6 0 81 234.211 2 ↓

    Parameters Provided:

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catalog.name = innovabb-v
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    SQL Query Was

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