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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) 0.31 2.42 -15.43 1 5 0 68 206.23 2 ↓

    Analogs

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    Popular Name: (2R)-N-[(1R)-1-[5-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-fluoro-2-pyridyl]eth (2R)-N-[(1R)-1-[5-[5-chloro-3-fl…

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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) 4.17 5.11 -15.52 2 7 0 101 490.816 6 ↓

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    Draw Identity 99% 90% 80% 70%

    Popular Name: Canagliflozin Canagliflozin

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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) 3.92 2.92 -11.1 4 5 0 90 444.524 5 ↓

    Analogs

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    Popular Name: 4-(3-(4-Cyano-3-(trifluoromethyl)phenyl)-5,5-dimethyl-4-oxo-2-thioxoimidazolidin-1-yl)-2-fluoro-N-methylbenzamide 4-(3-(4-Cyano-3-(trifluoromethyl…

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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) 4.03 11.17 -21.58 1 6 0 76 464.444 4 ↓

    Analogs

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    Popular Name: Mvix Mvix

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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) 3.23 5.55 -19.27 2 10 0 121 531.679 11 ↓
    Hi High (pH 8-9.5) 3.69 4.05 -64.92 1 10 -1 124 530.671 11 ↓
    Lo Low (pH 4.5-6) 3.23 7.86 -52.96 3 10 1 122 532.687 11 ↓

    Analogs

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    Popular Name: VX-770 VX-770

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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) 4.78 9.62 -15.78 3 5 0 82 392.499 4 ↓

    Analogs

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    Popular Name: R406 R406

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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) 3.68 9.33 -15.15 3 11 0 129 470.461 7 ↓
    Lo Low (pH 4.5-6) 3.68 9.46 -40.06 4 11 1 130 471.469 7 ↓

    Analogs

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    Popular Name: D-Mannitol D-Mannitol

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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) -3.09 -13.27 -11.12 6 6 0 121 182.172 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-Fluoro-N-(3-hydroxybenzyl)-1H-indole-2-carboxamide 5-Fluoro-N-(3-hydroxybenzyl)-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) 1.65 3.77 -10.71 3 4 0 65 284.29 3 ↓

    Analogs

    32500347
    32500347
    35527025
    35527025
    5348016
    5348016
    1491119
    1491119
    4704259
    4704259

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    Popular Name: JNJ 7777120 JNJ 7777120

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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) 2.38 4.89 -8.18 1 4 0 39 277.755 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: Sulforaphane Sulforaphane

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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 2.03 -12.17 0 2 0 29 177.294 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: Sulforaphane Sulforaphane

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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 2.03 -12.09 0 2 0 29 177.294 5 ↓

    Analogs

    11677851
    11677851

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    Popular Name: Zepeed Zepeed

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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) 1.38 5.52 -13.88 3 10 0 129 483.96 9 ↓
    Mid Mid (pH 6-8) 1.38 5.96 -34.37 4 10 1 130 484.968 9 ↓
    Mid Mid (pH 6-8) 1.38 3.59 -35.92 4 10 1 130 484.968 9 ↓

    Analogs

    4016103
    4016103
    4118742
    4118742
    4529554
    4529554
    4887214
    4887214

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    Popular Name: Bisphenol A Bisphenol 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) 3.37 3.86 -6.19 2 2 0 40 228.291 2 ↓
    Hi High (pH 8-9.5) 3.37 4.62 -48.62 1 2 -1 43 227.283 2 ↓

    Analogs

    3977919
    3977919
    3977920
    3977920
    3977921
    3977921
    4216862
    4216862
    5273641
    5273641

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    Popular Name: Prednisone Prednisone

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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) 1.41 4.54 -15.88 2 5 0 92 358.434 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: PD 98059 PD 98059

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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) 3.18 5.85 -10.31 2 4 0 65 267.284 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: VPA-985 VPA-985

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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 1.8 -12.67 1 5 0 54 473.935 3 ↓

    Analogs

    552049
    552049

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    Popular Name: Acriflavine hydrochloride Acriflavine hydrochloride

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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) -1.79 4.48 -23.02 4 3 1 56 224.287 0 ↓

    Analogs

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    Popular Name: BERBERINE CHLORIDE BERBERINE CHLORIDE

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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) 0.20 8.91 -32.71 0 5 1 41 336.367 2 ↓

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    Popular Name: AMG 900 AMG 900

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 6.04 12.75 -23.13 3 8 0 112 503.591 6 ↓

    Analogs

    38226010
    38226010

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    Popular Name: Pimasertib Pimasertib

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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) 1.88 0.01 -10.57 4 6 0 94 431.205 6 ↓

    Analogs

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    Popular Name: Dolutegravir Dolutegravir

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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 4.68 -15.82 2 8 0 101 419.384 3 ↓
    Hi High (pH 8-9.5) 0.92 5.63 -58.42 1 8 -1 104 418.376 3 ↓

    Analogs

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    Popular Name: Isopropyl 3-(3,4-difluorobenzoyl)-1,1-dimethyl-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate Isopropyl 3-(3,4-difluorobenzoyl…

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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) 4.68 12.79 -10.7 1 5 0 62 438.474 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: PF-03814735 PF-03814735

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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 10.84 -12.82 3 8 0 99 474.487 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: PF-03814735 PF-03814735

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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 10.85 -12.66 3 8 0 99 474.487 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: Regorafenib Regorafenib

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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) 4.85 -0.55 -12.57 3 7 0 92 482.821 6 ↓

    Analogs

    15889372
    15889372

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    Popular Name: Fexaramine Fexaramine

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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) 7.51 17.09 -13.12 0 5 0 50 496.651 9 ↓

    Analogs

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    Popular Name: Foretinib Foretinib

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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) 4.38 10 -23.65 2 10 0 111 632.664 12 ↓
    Ref Reference (pH 7) 4.57 7.07 -16.91 2 10 0 115 632.664 12 ↓
    Mid Mid (pH 6-8) 4.38 12.26 -57.4 3 10 1 112 633.672 12 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[4-[[6-Methoxy-7-[3-(4-morpholinyl)propoxy]-4-quinazolinyl]amino]phenyl]benzamide N-[4-[[6-Methoxy-7-[3-(4-morphol…

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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) 4.31 10.31 -16.66 2 9 0 98 513.598 10 ↓

    Analogs

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    Popular Name: Alfacalcidol Alfacalcidol

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 6.76 10.23 -3.75 2 2 0 40 400.647 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: U-100480 U-100480

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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 -3.09 -20.68 1 6 0 61 353.419 4 ↓

    Analogs

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    Popular Name: Fasidotril Fasidotril

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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) 4.05 0.38 -13.78 1 7 0 90 443.521 11 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: DNC005929 DNC005929

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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 -0.12 -11.55 2 4 0 69 173.193 2 ↓

    Analogs

    4029101
    4029101
    4029102
    4029102
    4029103
    4029103
    4029104
    4029104
    5275849
    5275849

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    Popular Name: Danazol Danazol

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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) 4.25 8.29 -9.21 1 3 0 46 337.463 0 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: DNC007444 DNC007444

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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 4.03 -14.97 1 5 0 58 313.382 2 ↓
    Lo Low (pH 4.5-6) 2.98 4.35 -28.48 2 5 1 60 314.39 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: TGX-115 TGX-115

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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) 3.05 7.67 -12.34 1 5 0 55 336.391 3 ↓
    Hi High (pH 8-9.5) 4.35 7.26 -44.91 0 5 -1 58 335.383 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: PIK-90 PIK-90

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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) 1.42 6.83 -20.73 1 8 0 91 351.366 4 ↓
    Mid Mid (pH 6-8) 1.42 7.83 -51.3 2 8 1 92 352.374 4 ↓

    Analogs

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    Popular Name: IC-87114 IC-87114

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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) 3.41 12.77 -16.01 2 8 0 105 397.442 3 ↓

    Analogs

    14975141
    14975141

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    Popular Name: 17?-hydroxy Wortmannin 17?-hydroxy Wortmannin

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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) 2.02 1.2 -13.15 1 8 0 112 430.453 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-Methyl-2-(4-(3-methyl-2-oxo-8-(quinolin-3-yl)-2,3-dihydro-1H-imidazo[4,5-c]quinolin-1-yl)phenyl)propanenitrile 2-Methyl-2-(4-(3-methyl-2-oxo-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) 5.77 14.76 -17.99 0 6 0 77 469.548 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4,4'-(6-(2-(Difluoromethyl)-1H-benzo[d]imidazol-1-yl)-1,3,5-triazine-2,4-diyl)dimorpholine 4,4'-(6-(2-(Difluoromethyl)-1H-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) 3.14 -4.94 -11.62 0 9 0 81 417.42 4 ↓

    Analogs

    19862654
    19862654

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    Popular Name: TGX-221 TGX-221

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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) 3.27 9.08 -11.61 1 6 0 59 364.449 4 ↓

    Analogs

    19862652
    19862652

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    Popular Name: TGX-221 TGX-221

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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) 3.27 9.05 -11.56 1 6 0 59 364.449 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: PI-103 PI-103

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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) 2.75 -6.5 -13.05 1 7 0 84 348.362 2 ↓

    Analogs

    12504504
    12504504

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    Popular Name: AS-605240 AS-605240

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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) 1.25 1.79 -13.38 1 5 0 76 257.274 1 ↓

    Analogs

    12446748
    12446748
    12446750
    12446750
    12446752
    12446752
    12446753
    12446753

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    Popular Name: Chrysophanol 8-O-glucoside Chrysophanol 8-O-glucoside

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 1.49 -9.95 -13.77 5 9 0 153 416.382 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: PIK-93 PIK-93

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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 0.08 -20.07 3 7 0 108 389.886 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: AS-252424 AS-252424

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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 3.87 -11.03 2 5 0 83 305.286 2 ↓

    Analogs

    3995884
    3995884

    Draw Identity 99% 90% 80% 70%

    Popular Name: Wortmannin Wortmannin

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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 8.68 -13.81 0 8 0 109 428.437 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(5-Chloro-2,4-dimethoxyphenyl)-3-(5-methylisoxazol-3-yl)urea 1-(5-Chloro-2,4-dimethoxyphenyl)…

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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 3.83 -11.69 2 7 0 86 311.725 4 ↓

    Parameters Provided:

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    SQL Query Was

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