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

    Analogs

    4530121
    4530121

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1,1,2,2-Cyclopropanetetracarbonitrile 1,1,2,2-Cyclopropanetetracarboni…

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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) -0.29 3.98 -15.74 0 4 0 95 142.121 0 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(5-methyl-1H-pyrazol-3-yl)acetic 2-(5-methyl-1H-pyrazol-3-yl)acetic

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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) 0.21 1.91 -53.13 1 4 -1 69 139.134 2 ↓

    Analogs

    34925310
    34925310

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-(1H-pyrazol-1-ylmethyl)benzoic acid 3-(1H-pyrazol-1-ylmethyl)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) 1.87 6.71 -51.82 0 4 -1 58 201.205 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-Hydroxynicotinic acid 2-Hydroxynicotinic 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) 0.34 -0.87 -50.39 1 4 -1 73 138.102 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-Nitroimidazole, 97% 4-Nitroimidazole, 97%

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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 3.78 -15.81 1 5 0 75 113.076 1 ↓
    Mid Mid (pH 6-8) 0.01 4.24 -46.12 2 5 1 76 114.084 1 ↓

    Analogs

    4096945
    4096945
    4096947
    4096947
    6484599
    6484599

    Draw Identity 99% 90% 80% 70%

    Popular Name: Taxifolin Taxifolin

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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) 0.71 -3.79 -12.73 5 7 0 127 304.254 1 ↓
    Ref Reference (pH 7) 0.71 -4.14 -13.36 5 7 0 127 304.254 1 ↓
    Hi High (pH 8-9.5) 0.71 -3.14 -52.96 4 7 -1 130 303.246 1 ↓

    Analogs

    39372774
    39372774

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(4-Nitrobenzyl)-1H-isoindole-1,3(2H)-dione 2-(4-Nitrobenzyl)-1H-isoindole-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) 3.08 1.68 -10.36 0 6 0 84 282.255 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-Methoxy-4-[(3-methylbenzyl)oxy]benzaldehyde 3-Methoxy-4-[(3-methylbenzyl)oxy…

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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) 3.39 2.46 -9.93 0 3 0 35 256.301 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-Aminobutanamide 2-Aminobutanamide

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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) -0.65 -2.92 -41.2 5 3 1 71 103.145 2 ↓

    Analogs

    41667832
    41667832
    41668486
    41668486

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[(5-Formyl-2-methoxybenzyl)thio]nicotinic acid 2-[(5-Formyl-2-methoxybenzyl)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) 2.53 7.33 -53.15 0 5 -1 79 302.331 6 ↓

    Analogs

    39957337
    39957337

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(methylthio)-4-propylpyrimidine-5-carboxylic acid 2-(methylthio)-4-propylpyrimidin…

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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) 2.34 -0.76 -42.16 0 4 -1 65 211.266 4 ↓

    Analogs

    6622528
    6622528

    Draw Identity 99% 90% 80% 70%

    Popular Name: 6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde 6-(4-fluorophenyl)imidazo[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) 2.90 1.68 -12.21 0 3 0 34 246.266 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: methyl 8,9-dimethoxy-2,4-dimethyl-5-oxo-5,6-dihydrobenzo[c]-2,7-naphthyridine-1-carboxylate methyl 8,9-dimethoxy-2,4-dimethy…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 1.52 4.76 -11.83 1 7 0 91 342.351 4 ↓

    Analogs

    34961492
    34961492
    39712885
    39712885
    2547296
    2547296

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-(Trifluoromethoxy)benzamidoxime 4-(Trifluoromethoxy)benzamidoxime

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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) 1.22 1.17 -5.37 3 4 0 68 220.15 3 ↓

    Analogs

    Identity 99% 90% 80% 70%

    Popular Name: N-Phenyliminodiacetic acid, 97% N-Phenyliminodiacetic acid, 97%

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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

    14590616
    14590616

    Draw Identity 99% 90% 80% 70%

    Popular Name: PINACOLONE OXIME PINACOLONE OXIME

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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 1.78 -4.19 1 2 0 33 115.176 1 ↓
    Ref Reference (pH 7) 2.01 1.72 -3.8 1 2 0 33 115.176 1 ↓

    Analogs

    4342753
    4342753
    39646465
    39646465
    44677461
    44677461
    44677462
    44677462
    39082
    39082

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2,3-Dimethyl-1-phenethyltetrahydro-4(1H)-pyridinone hydrochloride 2,3-Dimethyl-1-phenethyltetrahyd…

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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) 2.52 2.24 -44.16 1 2 1 22 232.347 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[3-(2-Aminoethyl)-1-adamantyl]-1-ethanamine dihydrochloride 2-[3-(2-Aminoethyl)-1-adamantyl]…

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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) 0.92 3.29 -99.18 6 2 2 55 224.392 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1,3-dimethyl-4-nitro-1H-pyrazole-5-carboxylic acid 1,3-dimethyl-4-nitro-1H-pyrazole…

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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) 0.31 3.3 -42.96 0 7 -1 104 184.131 2 ↓

    Analogs

    4294702
    4294702

    Draw Identity 99% 90% 80% 70%

    Popular Name: MFCD06411480 MFCD06411480

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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) 0.56 5.34 -78.32 1 6 0 74 294.351 6 ↓

    Analogs

    4237634
    4237634
    4237635
    4237635
    12404545
    12404545

    Draw Identity 99% 90% 80% 70%

    Popular Name: QA-3042 QA-3042

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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 -0.56 -59.54 0 8 -1 97 374.369 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-Furancarboxylic acid, 3-(aminomethyl)-, ethyl ester hydrochloride 2-Furancarboxylic acid, 3-(amino…

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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) 0.52 2.17 -39.77 3 4 1 67 170.188 4 ↓

    Analogs

    31992584
    31992584
    31992586
    31992586
    37038061
    37038061
    37039481
    37039481
    37039500
    37039500

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(Pyridin-2-yl)-1,4-diazepane 1-(Pyridin-2-yl)-1,4-diazepane

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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) 0.71 3.47 -42.66 2 3 1 33 178.259 1 ↓

    Analogs

    41716318
    41716318

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-acetyl-4-(2-bromoethyl)piperazine hydrobromide 1-acetyl-4-(2-bromoethyl)piperaz…

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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) 0.33 2.47 -8.62 0 3 0 24 235.125 2 ↓

    Analogs

    4127257
    4127257

    Draw Identity 99% 90% 80% 70%

    Popular Name: (4S,4aR,8aS)-4-chloro-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline (4S,4aR,8aS)-4-chloro-1,2,3,4,4a…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.59 5.4 -39.58 2 1 1 17 174.695 0 ↓

    Analogs

    4127257
    4127257
    4127259
    4127259
    4127260
    4127260

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-Chlorodecahydroquinoline hydrochloride 4-Chlorodecahydroquinoline hydro…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.59 -0.88 -34.91 2 1 1 17 174.695 0 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(5-methyl-4H-1,2,4-triazol-3-yl)methanamine 1-(5-methyl-4H-1,2,4-triazol-3-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) -1.23 -4.75 -41.32 4 4 1 69 113.144 1 ↓

    Analogs

    1301191
    1301191

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-(4-Methoxyphenyl)-3-(1H-1,2,3,4-tetraazol-1-yl)propanoic acid hydrochloride 3-(4-Methoxyphenyl)-3-(1H-1,2,3,…

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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) 0.47 5.41 -46.68 0 7 -1 93 247.234 5 ↓

    Analogs

    31319659
    31319659

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5-Amino-tetrazol-2-yl)-acetic acid (5-Amino-tetrazol-2-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) -1.63 -0.8 -45.42 2 7 -1 109 142.098 2 ↓

    Analogs

    4342678
    4342678

    Draw Identity 99% 90% 80% 70%

    Popular Name: dimethyl dimethyl

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 1.87 4.24 -5.57 0 5 0 56 255.314 4 ↓

    Analogs

    33979199
    33979199
    34384081
    34384081
    36449605
    36449605

    Draw Identity 99% 90% 80% 70%

    Popular Name: 6,7-Difluoro-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid 6,7-Difluoro-4-oxo-1,4-dihydro-q…

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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) -0.54 5.92 -61.33 1 4 -1 73 224.142 1 ↓
    Lo Low (pH 4.5-6) -0.54 3.91 -16.75 2 4 0 70 225.15 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-(4-methylphenyl)-1H-pyrazole-5-carbohydrazide 3-(4-methylphenyl)-1H-pyrazole-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) 1.06 2.1 -10.74 4 5 0 84 216.244 2 ↓

    Analogs

    41847770
    41847770
    105273
    105273

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid 1,2,3,4-tetrahydroisoquinoline-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) -0.73 4.45 -37.95 2 3 0 57 177.203 1 ↓

    Analogs

    1296264
    1296264

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-(4-Ethoxyphenyl)-3-(1H-1,2,3,4-tetraazol-1-yl)propanoic acid 3-(4-Ethoxyphenyl)-3-(1H-1,2,3,4…

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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) 0.85 6.34 -46.38 0 7 -1 93 261.261 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-NITROSO-2-NAPHTHOL 1-NITROSO-2-NAPHTHOL

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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) 2.73 4.13 -10.76 1 3 0 50 173.171 1 ↓
    Ref Reference (pH 7) 2.06 4.35 -12.26 1 3 0 50 173.171 0 ↓
    Hi High (pH 8-9.5) 2.06 5.59 -64.38 0 3 -1 52 172.163 0 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1,2-Cyclohexylenedinitrilotetraacetic acid 1,2-Cyclohexylenedinitrilotetraa…

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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) -4.65 7.92 -213.25 1 10 -3 168 343.312 10 ↓
    Mid Mid (pH 6-8) -4.65 9.14 -124.39 2 10 -2 169 344.32 10 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [(3S,8S,9R,10R,13R,14S,17S)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17 [(3S,8S,9R,10R,13R,14S,17S)-17-[…

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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) 8.54 16.77 -2.05 0 2 0 26 449.119 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [(3S,8S,9R,10R,13R,14R,17S)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17 [(3S,8S,9R,10R,13R,14R,17S)-17-[…

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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) 8.54 16.63 -1.9 0 2 0 26 449.119 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [(3S,8S,9R,10R,13R,14S,17S)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17 [(3S,8S,9R,10R,13R,14S,17S)-17-[…

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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) 8.28 16.99 -4.86 0 2 0 26 428.701 7 ↓

    Analogs

    1706737
    1706737

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1,4-diethylpiperazine 1,4-diethylpiperazine

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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 3.46 -30.88 1 2 1 8 143.254 2 ↓
    Hi High (pH 8-9.5) 0.99 1.07 -1.4 0 2 0 6 142.246 2 ↓

    Analogs

    34384385
    34384385

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1,2-BIS(DIMETHYLAMINO)-2-METHYLPROPANE 1,2-BIS(DIMETHYLAMINO)-2-METHYLP…

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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) 1.18 5.37 -29.33 1 2 1 8 145.27 3 ↓
    Mid Mid (pH 6-8) 1.18 4.01 -27.51 1 2 1 8 145.27 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(4-Sulfophenyl)biguanide N-(4-Sulfophenyl)biguanide

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) -2.69 1.43 -72.29 7 8 0 157 257.275 5 ↓
    Hi High (pH 8-9.5) -2.69 1.51 -49.81 6 8 -1 155 256.267 5 ↓
    Mid Mid (pH 6-8) -2.69 1.46 -45.31 6 8 0 155 256.267 5 ↓

    Analogs

    2586210
    2586210
    2597543
    2597543
    34018948
    34018948
    44216871
    44216871
    44216874
    44216874

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-amino-3-(4-methoxyphenyl)propanoic acid 3-amino-3-(4-methoxyphenyl)propa…

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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 2.42 -42.74 3 4 0 77 195.218 4 ↓

    Analogs

    31934987
    31934987

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-Morpholin-4-ylmethylbenzylamine 4-Morpholin-4-ylmethylbenzylamine

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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) 0.77 1.6 -46.79 3 3 1 40 207.297 3 ↓

    Analogs

    49942703
    49942703

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-(2-aminoethyliminomethyl)-3-iodo-2-methoxy-phenol 5-(2-aminoethyliminomethyl)-3-io…

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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 -5.85 -48.1 4 4 1 69 321.138 4 ↓

    Analogs

    1235134
    1235134
    37998216
    37998216
    37998217
    37998217
    43445560
    43445560
    43445561
    43445561

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1,4-dioxan-2-ylmethyl)methylamine (1,4-dioxan-2-ylmethyl)methylamine

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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) -0.27 0.72 -36.68 2 3 1 35 132.183 2 ↓

    Analogs

    17060406
    17060406
    36467192
    36467192
    1707599
    1707599
    5760394
    5760394

    Draw Identity 99% 90% 80% 70%

    Popular Name: Tropinone Tropinone

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    And 56 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) 0.29 4.52 -40.92 1 2 1 22 140.206 0 ↓

    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) 3.53 9.7 -48.34 0 5 -1 49 326.401 5 ↓
    Mid Mid (pH 6-8) 2.80 9.67 -12.29 1 5 0 52 327.409 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: Ethyl 7-ethoxyisothiazolo[4,5-d]pyrimidine-3-carboxylate Ethyl 7-ethoxyisothiazolo[4,5-d]…

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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) 1.77 -1.88 -7.99 0 6 0 74 253.283 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1,1-Dimethyl-2-morpholin-4-yl-ethylamine 1,1-Dimethyl-2-morpholin-4-yl-et…

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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) 0.41 -1.43 -40.47 3 3 1 40 159.253 2 ↓

    Parameters Provided:

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catalog.name = timtecbb
filter.purchasability = purchasable

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