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

    Analogs

    37868648
    37868648

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-BENZYL-5-(3-PYRIDYL)HYDANTOIN 5-BENZYL-5-(3-PYRIDYL)HYDANTOIN

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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) 1.15 -2.82 -9.7 2 5 0 71 267.288 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1H-Pyrazolo[3,4-d]pyrimidine, 4-(benzylamino)-1-methyl-; 1H-Pyrazolo[3,4-d]pyrimidin-4-amine, 1-methyl-N-(phenylmethyl)- 1H-Pyrazolo[3,4-d]pyrimidine, 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) 1.47 7.21 -8.1 1 5 0 56 239.282 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-[[(2-FURANYL)METHYL]AMINO]-1H-PYRAZOLO[3,4-D]PYRIMIDINE 4-[[(2-FURANYL)METHYL]AMINO]-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) 0.66 4.11 -8.26 2 6 0 80 215.216 3 ↓
    Mid Mid (pH 6-8) 0.39 3.4 -32.12 0 6 -1 77 214.208 3 ↓
    Lo Low (pH 4.5-6) 0.39 4.7 -53.89 2 6 1 76 216.224 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: Thymolphthalein Thymolphthalein

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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) 7.46 10.67 -11.92 2 4 0 67 430.544 4 ↓

    Analogs

    6096442
    6096442
    12670933
    12670933
    34570732
    34570732
    36386172
    36386172
    40834470
    40834470

    Draw Identity 99% 90% 80% 70%

    Popular Name: Benzyl b-D-arabinopyranoside Benzyl b-D-arabinopyranoside

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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) 0.00 -1.75 -6.19 3 5 0 79 240.255 3 ↓

    Analogs

    34570732
    34570732
    6096442
    6096442
    3953805
    3953805

    Draw Identity 99% 90% 80% 70%

    Popular Name: BENZYL .BETA.-D-ARABINOPYRANOSIDE BENZYL .BETA.-D-ARABINOPYRANOSIDE

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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) 0.00 -1.23 -8.78 3 5 0 79 240.255 3 ↓

    Analogs

    4403653
    4403653
    6096442
    6096442
    12670933
    12670933
    34570732
    34570732
    36386172
    36386172

    Draw Identity 99% 90% 80% 70%

    Popular Name: BENZYL .BETA.-D-ARABINOPYRANOSIDE BENZYL .BETA.-D-ARABINOPYRANOSIDE

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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) 0.00 -1.65 -11.39 3 5 0 79 240.255 3 ↓

    Analogs

    4403650
    4403650
    4403651
    4403651
    4403652
    4403652
    4403653
    4403653
    6096442
    6096442

    Draw Identity 99% 90% 80% 70%

    Popular Name: BENZYL .BETA.-D-ARABINOPYRANOSIDE BENZYL .BETA.-D-ARABINOPYRANOSIDE

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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) 0.00 -2.17 -8.1 3 5 0 79 240.255 3 ↓

    Analogs

    6091722
    6091722
    39119145
    39119145

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2,2',5,5'-TETRAHYDROXY-4,4'-DIMETHYLBIPHENYL 2,2',5,5'-TETRAHYDROXY-4,4'-DIME…

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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) 3.88 -1.48 -7.84 4 4 0 81 246.262 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 10-(2-Acetoxyethyl)-7,8-dimethylisoalloxazine; 6,7-Dimethyl-9-(2-acetoxyethyl)isoalloxazine; 7,8-Dimethyl-10-(2'-acetoxyethyl)isoalloxazine; AI3-26392; BRN 0353592; Benzo(g)pteridine-2,4(1H,3H)-dione, 10-(2-(acetyloxy)ethyl)-7,8-dimethyl-; Isoalloxazine, 10-(2-Acetoxyethyl)-7,8-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) 1.66 4.51 -18.37 1 8 0 107 328.328 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5347-17-1; N-(2-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)-4-methylbenzenesulfonamide; nsc3752 5347-17-1; N-(2-hydroxy-6,7-dihy…

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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 3.56 -17.94 2 5 0 79 304.371 3 ↓
    Mid Mid (pH 6-8) 3.04 2.94 -61.97 1 5 -1 85 303.363 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-amino-6,7-dihydro-5H -cyclopenta[b]pyridin-2-yl-4-methylbenzenesulfonate 4-amino-6,7-dihydro-5H -cyclopen…

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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 2.76 -16.51 2 5 0 82 304.371 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 6,6'-benzene-1,2-diylbis(1,3,5-triazine-2,4-diamine) 6,6'-benzene-1,2-diylbis(1,3,5-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) 0.07 6.73 -12.92 8 10 0 181 296.298 2 ↓

    Analogs

    4902078
    4902078

    Draw Identity 99% 90% 80% 70%


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    Popular Name:

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    P89582-1-V Human Immunodeficiency Virus Type 2 Integrase (cluster #1 Of 1), Viral Viruses 2300 0.42 Binding ≤ 10μM
    Q7ZJM1-1-V Human Immunodeficiency Virus Type 1 Integrase (cluster #1 Of 6), Viral Viruses 900 0.45 Binding ≤ 10μM
    ChEMBL Target Annotations
    Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
    Q7ZJM1_9HIV1 Q7ZJM1 Human Immunodeficiency Virus Type 1 Integrase, 9hiv1 900 0.45 Binding ≤ 1μM
    Q7ZJM1_9HIV1 Q7ZJM1 Human Immunodeficiency Virus Type 1 Integrase, 9hiv1 1100 0.44 Binding ≤ 10μM
    P89582_9HIV2 P89582 Human Immunodeficiency Virus Type 2 Integrase, 9hiv2 1500 0.43 Binding ≤ 10μM

    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) 1.58 0.83 -16.73 3 5 0 91 258.229 0 ↓

    Analogs

    34955521
    34955521
    34955539
    34955539
    34955541
    34955541
    34955561
    34955561
    34955580
    34955580

    Draw Identity 99% 90% 80% 70%

    Popular Name: 6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylsulfonyl)-1,2,3,4-tetrahydroquinoline 6-(3,4,4a,5,6,7,8,8a-octahydro-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) 3.77 6.47 -9.75 1 4 0 49 334.485 2 ↓

    Analogs

    34955521
    34955521
    34955539
    34955539
    34955541
    34955541
    34955561
    34955561
    34955580
    34955580

    Draw Identity 99% 90% 80% 70%

    Popular Name: 6-[[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]sulfonyl]-1,2,3,4-tetrahydroquinoline 6-[[(4aR,8aS)-3,4,4a,5,6,7,8,8a-…

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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) 3.77 6.7 -8.91 1 4 0 49 334.485 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-Benzoyl-2-thiourea 1-Benzoyl-2-thiourea

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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 3.16 -20.44 3 3 0 55 180.232 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[[5-(benzoylthiocarbamoylamino)-2-methyl-phenyl]thiocarbamoyl]benzamide N-[[5-(benzoylthiocarbamoylamino…

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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) 3.20 11.35 -28.44 4 6 0 82 448.573 8 ↓

    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) 2.24 5.44 -14.11 2 4 0 54 213.24 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: Dicyclohexyl phthalate Dicyclohexyl phthalate

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 5.37 2.68 -13.39 0 4 0 52 330.424 6 ↓

    Analogs

    6095885
    6095885

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1,2-Phenylenebis(phenylmethanone) 1,2-Phenylenebis(phenylmethanone)

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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) 4.80 11.3 -9.98 0 2 0 34 286.33 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2,4-bis(phenylazo)benzene-1,3-diol 2,4-bis(phenylazo)benzene-1,3-diol

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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 -13.27 2 6 0 83 318.336 4 ↓
    Hi High (pH 8-9.5) 5.74 3.55 -46.34 1 6 -1 93 317.328 4 ↓
    Hi High (pH 8-9.5) 5.74 2.21 -40.54 1 6 -1 93 317.328 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (4-TERT-BUTYLPHENYL)BENZOATE (4-TERT-BUTYLPHENYL)BENZOATE

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 5.51 11 -7.16 0 2 0 26 254.329 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: Diphenyl-carbamic acid phenyl ester Diphenyl-carbamic acid phenyl ester

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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) 4.96 11.87 -10.03 0 3 0 30 289.334 4 ↓

    Analogs

    26479891
    26479891
    36721435
    36721435

    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) 3.29 5.39 -8.12 1 2 0 29 232.11 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3,6-Diacetamidoacridine; 3,6-Bis(acetylamino)acridine; 3,6-Bis-monoacetaminoacridine 3,6-Diacetamidoacridine; 3,6-Bis…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    Z50417-3-O Leishmania Infantum (cluster #3 Of 4), Other Other 4500 0.34 Functional ≤ 10μM
    ChEMBL Target Annotations
    Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
    Z50417 Z50417 Leishmania Infantum 4500 0.34 Functional ≤ 10μM

    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) 1.55 4.92 -16.6 2 5 0 71 293.326 2 ↓
    Lo Low (pH 4.5-6) 1.55 5.3 -35.55 3 5 1 72 294.334 2 ↓

    Analogs

    8701495
    8701495

    Draw Identity 99% 90% 80% 70%

    Popular Name: Thionalide Thionalide

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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) 2.62 5.89 -10.44 1 2 0 29 217.293 2 ↓
    Hi High (pH 8-9.5) 2.62 6.42 -51.82 1 2 -1 29 216.285 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-bromo-3-cyclohexyl-2-hydroxy-benzamide 5-bromo-3-cyclohexyl-2-hydroxy-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) 3.64 4.32 -7.52 3 3 0 63 298.18 2 ↓
    Hi High (pH 8-9.5) 3.64 5.32 -48.4 2 3 -1 66 297.172 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-amino-N-(4-tert-butylphenyl)benzenesulfonamide; nsc7436 4-amino-N-(4-tert-butylphenyl)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) 3.48 4.6 -9.24 3 4 0 72 304.415 4 ↓
    Hi High (pH 8-9.5) 3.48 4.65 -49.77 2 4 -1 74 303.407 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2,2'-Dipyridylamine 2,2'-Dipyridylamine

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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 6.42 -8.83 1 3 0 38 171.203 2 ↓
    Mid Mid (pH 6-8) 2.13 6.41 -29.17 2 3 1 39 172.211 2 ↓
    Lo Low (pH 4.5-6) 2.13 5.72 -85.12 3 3 2 40 173.219 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: Allantoin Allantoin

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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 -7.26 -11.03 5 7 0 113 158.117 1 ↓
    Hi High (pH 8-9.5) -2.78 -12.09 -35.58 6 7 1 122 159.125 1 ↓
    Hi High (pH 8-9.5) -2.78 -13.67 -13.57 5 7 0 120 158.117 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: Allantoin Allantoin

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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 -7.26 -11.05 5 7 0 113 158.117 1 ↓
    Hi High (pH 8-9.5) -2.78 -13.65 -13.6 5 7 0 120 158.117 1 ↓
    Hi High (pH 8-9.5) -2.78 -12.06 -35.62 6 7 1 122 159.125 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-keto-2,6-dimethyl-pyran-3,5-dicarboxylic-acid-diethyl-ester 4-keto-2,6-dimethyl-pyran-3,5-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) 1.23 8.13 -11.34 0 6 0 83 268.265 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (6-chloro-1-methyl-pyrazolo[3,4-d]pyrimidin-4-yl)-(2-chlorophenyl)amine (6-chloro-1-methyl-pyrazolo[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) 3.83 7.92 -7 1 5 0 56 294.145 2 ↓

    Analogs

    2579086
    2579086
    39119066
    39119066

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-AMINO-4-PHENYLPHENOL 2-AMINO-4-PHENYLPHENOL

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.93 3.05 -5.29 3 2 0 46 185.226 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-1-naphthylbenzamide N-1-naphthylbenzamide

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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) 3.99 8.93 -10.11 1 2 0 29 247.297 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 6642-32-6; N-(3-phenyl-1H-1,2,4-triazol-5-yl)urea; nsc8179 6642-32-6; N-(3-phenyl-1H-1,2,4-…

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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) 0.59 1.63 -47.09 3 6 -1 103 202.197 2 ↓
    Mid Mid (pH 6-8) 0.96 3.15 -14.16 4 6 0 97 203.205 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1,3,7-trimethyl-8-propoxy-purine-2,6-dione 1,3,7-trimethyl-8-propoxy-purine…

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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) 1.32 3.83 -7.18 0 7 0 71 252.274 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3,5-Diethoxycarbonyl-1,4-dihydro-2,4,6-collidine 3,5-Diethoxycarbonyl-1,4-dihydro…

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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 7.73 -9.86 1 5 0 65 267.325 6 ↓

    Analogs

    399963
    399963

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1,1,3,3-tetraphenylurea 1,1,3,3-tetraphenylurea

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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) 7.03 13.57 -10.89 0 3 0 24 364.448 4 ↓

    Analogs

    4894301
    4894301
    4894546
    4894546
    4902078
    4902078

    Draw Identity 99% 90% 80% 70%

    Popular Name: 6-(2,3,6,7-tetrahydroxyxanthen-9-ylidene)cyclohexa-2,4-dien-1-one 6-(2,3,6,7-tetrahydroxyxanthen-9…

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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) 2.66 0.97 -16.1 4 6 0 111 336.299 1 ↓
    Hi High (pH 8-9.5) 2.66 0.92 -42.8 3 6 -1 114 335.291 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N,N-dimethylcarbamic-acid-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-ester N,N-dimethylcarbamic-acid-[(3S)-…

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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) 1.56 4.84 -10.03 0 5 0 48 237.255 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N,N-dimethylcarbamic-acid-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-ester N,N-dimethylcarbamic-acid-[(3R)-…

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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) 1.56 4.84 -10.12 0 5 0 48 237.255 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-(2-Pyridylazo)-N,N-dimethylaniline 4-(2-Pyridylazo)-N,N-dimethylani…

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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) 3.33 5.4 -9.96 0 4 0 41 226.283 3 ↓
    Ref Reference (pH 7) 3.33 6.38 -11.46 0 4 0 41 226.283 3 ↓

    Analogs

    3877523
    3877523

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1,2-Di(2-pyridyl)ethylene 1,2-Di(2-pyridyl)ethylene

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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 6.55 -7.21 0 2 0 26 182.226 2 ↓
    Lo Low (pH 4.5-6) 1.80 6.69 -25.89 1 2 1 27 183.234 2 ↓
    Lo Low (pH 4.5-6) 1.80 6.86 -85.54 2 2 2 28 184.242 2 ↓

    Analogs

    44880404
    44880404
    44880407
    44880407
    44880709
    44880709
    44880711
    44880711

    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) 3.95 7.85 -8.55 1 2 0 29 227.307 3 ↓

    Analogs

    44122778
    44122778
    57154
    57154

    Draw Identity 99% 90% 80% 70%

    Popular Name: Ethyl2-cyano-3-(1H-indol-3-yl)acrylate Ethyl2-cyano-3-(1H-indol-3-yl)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) 2.60 2.68 -9.17 1 4 0 65 240.262 4 ↓

    Analogs

    4416613
    4416613

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-4-keto-6,7-dimethoxy-tetralin-2-carboxylic-acid-ethyl-ester (2S)-4-keto-6,7-dimethoxy-tetral…

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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) 1.95 2.64 -9.77 0 5 0 61 278.304 5 ↓

    Analogs

    1706083
    1706083

    Draw Identity 99% 90% 80% 70%

    Popular Name: ethyl 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) 1.95 6.83 -9.7 0 5 0 62 278.304 5 ↓

    Analogs

    39241206
    39241206

    Draw Identity 99% 90% 80% 70%

    Popular Name: 9-Phenylcarbazole 9-Phenylcarbazole

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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) 4.81 11.78 -7.25 0 1 0 5 243.309 1 ↓

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