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

    Analogs

    39297670
    39297670

    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) 1.35 4.65 -48.58 1 4 -1 69 206.221 4 ↓

    Analogs

    39120727
    39120727
    39120728
    39120728
    41681636
    41681636
    41681637
    41681637
    41681642
    41681642

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(4-Methyl-piperazin-1-ylmethyl)-propylamine 1-(4-Methyl-piperazin-1-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) -0.02 2.52 -93.04 4 3 2 35 173.304 3 ↓
    Mid Mid (pH 6-8) -0.02 2 -119.91 4 3 2 35 173.304 3 ↓
    Mid Mid (pH 6-8) -0.02 0.05 -39.33 3 3 1 34 172.296 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-({(1E)-[3-methoxy-4-(pentyloxy)phenyl]methylene}amino)-5-methyl-4H-1,2,4-triazole-3-thiol 4-({(1E)-[3-methoxy-4-(pentyloxy…

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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) 2.56 -0.14 -15.23 1 6 0 64 334.445 8 ↓

    Analogs

    28143
    28143

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropanoic acid 2-(1,3-dioxo-1,3-dihydro-2H-isoi…

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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) 2.56 10.13 -59.98 0 5 -1 79 294.286 4 ↓

    Analogs

    6328424
    6328424
    36983063
    36983063
    44813521
    44813521
    44813524
    44813524

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-cyano-N-(2,5-dichlorophenyl)acetamide 2-cyano-N-(2,5-dichlorophenyl)ac…

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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) 1.86 5.02 -15.27 1 3 0 53 229.066 2 ↓

    Analogs

    4158696
    4158696

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-{[1-(4-chlorophenyl)-2,5-dioxotetrahydro-1H-pyrrol-3-yl]thio}benzoic acid 2-{[1-(4-chlorophenyl)-2,5-dioxo…

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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) 2.60 9.02 -59 0 5 -1 78 360.798 4 ↓

    Analogs

    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) 1.92 9.51 -54.6 0 5 -1 78 326.353 4 ↓

    Analogs

    16899515
    16899515

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-{[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]thio}benzoic acid 2-{[1-(4-methylphenyl)-2,5-dioxo…

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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) 2.37 10.19 -54.46 0 5 -1 78 340.38 4 ↓
    Ref Reference (pH 7) 3.87 6.08 -55.05 2 5 -1 86 340.38 4 ↓
    Hi High (pH 8-9.5) 3.87 6.84 -121.96 1 5 -2 88 339.372 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-Allyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol 4-Allyl-5-(3,4,5-trimethoxypheny…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 1.84 7.14 -11.52 1 6 0 61 307.375 6 ↓
    Mid Mid (pH 6-8) 2.57 7.24 -43.7 0 6 -1 58 306.367 6 ↓

    Analogs

    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) -0.04 3.44 -50.48 1 5 -1 82 199.211 4 ↓
    Lo Low (pH 4.5-6) -0.04 1.47 -13.59 2 5 0 79 200.219 4 ↓

    Analogs

    33306
    33306
    416479
    416479
    416480
    416480
    466904
    466904
    11848434
    11848434

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-[(2-methylpiperidin-1-yl)sulfonyl]benzoic acid 4-[(2-methylpiperidin-1-yl)sulfo…

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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) 2.40 5.61 -47.66 0 5 -1 78 282.341 3 ↓

    Analogs

    416479
    416479
    416480
    416480
    466904
    466904
    11848434
    11848434
    11848435
    11848435

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-[(2-methylpiperidin-1-yl)sulfonyl]benzoic acid 4-[(2-methylpiperidin-1-yl)sulfo…

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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) 2.40 5.61 -47.67 0 5 -1 78 282.341 3 ↓

    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

    8955479
    8955479

    Draw Identity 99% 90% 80% 70%

    Popular Name: (4-Hydroxy-5,7-dimethyl-pyrido[2,3-d]pyrimidin-2-ylsulfanyl)-acetic acid (4-Hydroxy-5,7-dimethyl-pyrido[2…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.08 3.33 -105.16 0 6 -2 102 263.278 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (4-Hydroxy-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-ylsulfanyl)-acetic acid (4-Hydroxy-5,6-dimethyl-thieno[2…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.06 4.71 -49.84 1 5 -1 86 269.327 3 ↓
    Hi High (pH 8-9.5) 2.52 3.39 -104.36 0 5 -2 89 268.319 3 ↓

    Analogs

    8762778
    8762778

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-(4-Oxo-1,4-dihydro-quinazolin-2-ylsulfanyl)-propionic acid 3-(4-Oxo-1,4-dihydro-quinazolin-…

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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) 2.43 3.59 -110.55 0 5 -2 89 248.263 4 ↓
    Hi High (pH 8-9.5) 1.98 4.97 -59.95 1 5 -1 86 249.271 4 ↓
    Mid Mid (pH 6-8) 1.98 5.52 -45.53 1 5 -1 86 249.271 4 ↓

    Analogs

    57833530
    57833530

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5,6-Dimethyl-thieno[2,3-d]pyrimidin-4-ylsulfanyl)-acetic acid (5,6-Dimethyl-thieno[2,3-d]pyrim…

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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) 1.86 -1.17 -47.35 0 4 -1 65 253.328 3 ↓

    Analogs

    Identity 99% 90% 80% 70%

    Popular Name: MFCD00438867 MFCD00438867

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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

    Analogs

    21816899
    21816899
    41656162
    41656162
    41656168
    41656168

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-Methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid 2-Methyl-1,2,3,4-tetrahydroacrid…

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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) 3.37 7.85 -59.39 1 3 0 54 241.29 1 ↓

    Analogs

    41656162
    41656162
    41656168
    41656168

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-Methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid 2-Methyl-1,2,3,4-tetrahydroacrid…

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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) 3.37 7.86 -59.4 1 3 0 54 241.29 1 ↓

    Analogs

    39295176
    39295176

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-Chloro-6-fluoro-1-benzothiophene-2-carboxylic acid 3-Chloro-6-fluoro-1-benzothiophe…

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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) 3.46 0.31 -45.47 0 2 -1 40 229.639 1 ↓

    Analogs

    58234922
    58234922

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3,6-Dichloro-1-benzothiophene-2-carboxylic acid 3,6-Dichloro-1-benzothiophene-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) 3.98 7.49 -43.58 0 2 -1 40 246.094 1 ↓

    Analogs

    4201698
    4201698

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(3,4-dimethylphenyl)glycinamide N-(3,4-dimethylphenyl)glycinamide

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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) 1.11 2.1 -48.23 4 3 1 57 179.243 2 ↓

    Analogs

    4201702
    4201702
    5160732
    5160732
    34979741
    34979741
    37042483
    37042483

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-Amino-N-(4-methylphenyl)acetamide hydrochloride 2-Amino-N-(4-methylphenyl)acetam…

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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) 0.74 1.57 -48.27 4 3 1 57 165.216 2 ↓

    Analogs

    37006999
    37006999

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-(2-Chloro-acetylamino)-benzoic acid 3-(2-Chloro-acetylamino)-benzoic…

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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 3.65 -52.47 1 4 -1 69 212.612 3 ↓

    Analogs

    40178932
    40178932

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-[(4-Methoxybenzoyl)amino]benzoic acid 4-[(4-Methoxybenzoyl)amino]benzo…

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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 0.06 -56.58 1 5 -1 78 270.264 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: BRN 3310533; Glycine, N-(1-naphthalenylcarbonyl)-; LS-72769; N-(1-Naphthalenylcarbonyl)glycine; N-1-Naphthoylglycine BRN 3310533; Glycine, N-(1-napht…

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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) 0.62 4.97 -47.61 1 4 -1 69 228.227 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[(2,4-dichlorobenzoyl)amino]acetic acid 2-[(2,4-dichlorobenzoyl)amino]ac…

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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 3.74 -41.94 1 4 -1 69 247.057 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(2-Naphthyloxy)propanoic acid 2-(2-Naphthyloxy)propanoic 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) 2.79 1.3 -49.76 0 3 -1 49 215.228 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(2-Naphthyloxy)propanoic acid 2-(2-Naphthyloxy)propanoic 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) 2.79 1.3 -49.82 0 3 -1 49 215.228 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(1-Naphthyloxy)propanoic acid 2-(1-Naphthyloxy)propanoic 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) 2.76 1.37 -51.07 0 3 -1 49 215.228 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(1-Naphthyloxy)propanoic acid 2-(1-Naphthyloxy)propanoic 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) 2.76 1.36 -51.16 0 3 -1 49 215.228 3 ↓

    Analogs

    5896217
    5896217
    41655861
    41655861

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(4-Fluoro-phenyl)-quinoline-4-carboxylic acid 2-(4-Fluoro-phenyl)-quinoline-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) 3.80 1.12 -48.82 0 3 -1 53 266.251 2 ↓

    Analogs

    6090672
    6090672

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-[(3-phenoxypropyl)thio]-4H-1,2,4-triazol-3-amine 5-[(3-phenoxypropyl)thio]-4H-1,2…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.07 -3.78 -10.02 3 5 0 76 250.327 6 ↓

    Analogs

    1166056
    1166056
    4802515
    4802515
    5376046
    5376046

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-[(5Z)-5-(1,3-benzodioxol-5-ylmethylene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoic acid 4-[(5Z)-5-(1,3-benzodioxol-5-ylm…

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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) 1.57 -1.77 -55.24 0 6 -1 80 350.397 5 ↓

    Analogs

    33809753
    33809753
    33810585
    33810585

    Draw Identity 99% 90% 80% 70%

    Popular Name: 7-ethoxy-2-oxo-2H-chromene-3-carboxylic acid 7-ethoxy-2-oxo-2H-chromene-3-car…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 1.92 6.25 -59.9 0 5 -1 80 233.199 3 ↓

    Analogs

    36170681
    36170681
    36170682
    36170682
    36984025
    36984025
    36984026
    36984026
    37079765
    37079765

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(4-Ethyl-piperazin-1-yl)-2-phenyl-ethylamine 2-(4-Ethyl-piperazin-1-yl)-2-phe…

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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 4.98 -115.7 4 3 2 35 235.375 4 ↓
    Mid Mid (pH 6-8) 1.00 2.6 -46.24 3 3 1 34 234.367 4 ↓

    Analogs

    37788438
    37788438
    37788439
    37788439
    37794693
    37794693
    37794694
    37794694
    37796380
    37796380

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-{[1-(3,4-dimethoxyphenyl)ethyl]amino}-4-oxobutanoic acid 4-{[1-(3,4-dimethoxyphenyl)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) 0.81 -0.07 -50.54 1 6 -1 88 280.3 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2,3,6-trimethylphenoxy)acetic acid (2,3,6-trimethylphenoxy)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) 2.44 2.02 -49.7 0 3 -1 49 193.222 3 ↓

    Analogs

    19933495
    19933495
    32110660
    32110660
    34480585
    34480585
    39318907
    39318907
    42367568
    42367568

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(4-fluorobenzyl)piperazine 1-(4-fluorobenzyl)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) 1.20 3.5 -41.98 2 2 1 20 195.261 2 ↓
    Hi High (pH 8-9.5) 1.20 2.09 -3.04 1 2 0 15 194.253 2 ↓

    Analogs

    39318902
    39318902

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(4-methoxybenzyl)piperazine 1-(4-methoxybenzyl)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) 1.09 2.92 -39.98 2 3 1 29 207.297 3 ↓
    Hi High (pH 8-9.5) 1.09 1.56 -3.85 1 3 0 24 206.289 3 ↓

    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: 1-(1-naphthylmethyl)piperazine 1-(1-naphthylmethyl)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) 2.20 6.01 -41.97 2 2 1 20 227.331 2 ↓
    Hi High (pH 8-9.5) 2.20 4.61 -4 1 2 0 15 226.323 2 ↓

    Analogs

    39971521
    39971521
    1726789
    1726789

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(4-Bromobenzyl)piperazine 1-(4-Bromobenzyl)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) 1.85 4.06 -41.17 2 2 1 20 256.167 2 ↓
    Hi High (pH 8-9.5) 1.85 2.65 -2.47 1 2 0 15 255.159 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: MFCD02921127 MFCD02921127

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    And 5 More

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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 4.77 -38.04 3 3 1 42 237.367 3 ↓

    Analogs

    33979199
    33979199
    36753192
    36753192
    6413870
    6413870

    Draw Identity 99% 90% 80% 70%

    Popular Name: 6-fluoro-4-hydroxyquinoline-3-carboxylic acid 6-fluoro-4-hydroxyquinoline-3-ca…

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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) -0.63 5.87 -67.81 1 4 -1 73 206.152 1 ↓
    Mid Mid (pH 6-8) -0.63 3.87 -18.78 2 4 0 70 207.16 1 ↓
    Lo Low (pH 4.5-6) 0.67 4.62 -124.07 0 4 -2 76 205.144 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-Chloro-N-(3,4-dichlorophenyl)acetamide 2-Chloro-N-(3,4-dichlorophenyl)a…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.01 -0.47 -11.83 1 2 0 29 238.501 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-Chloro-N-(2,5-dichlorophenyl)acetamide 2-Chloro-N-(2,5-dichlorophenyl)a…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.01 -0.33 -8.14 1 2 0 29 238.501 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-chloro-N-(2,3-dichlorophenyl)acetamide 2-chloro-N-(2,3-dichlorophenyl)a…

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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) 2.98 -0.31 -7.49 1 2 0 29 238.501 2 ↓

    Analogs

    26507281
    26507281

    Draw Identity 99% 90% 80% 70%

    Popular Name: 8-Aminoquinaldine 8-Aminoquinaldine

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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) 1.43 3.56 -6.06 2 2 0 39 158.204 0 ↓
    Lo Low (pH 4.5-6) 1.43 4.01 -25.88 3 2 1 40 159.212 0 ↓

    Parameters Provided:

    page.format = basic
page.num = 1
catalog.name = timtecbb-v
filter.purchasability = purchasable

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    SQL Query Was

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

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