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

    Analogs

    5320256
    5320256
    38781564
    38781564
    38781565
    38781565

    Draw Identity 99% 90% 80% 70%

    Popular Name: RP-7204 RP-7204

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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) 4.58 3.35 -41.65 1 3 1 33 324.473 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: Dacemazine (INN) Dacemazine (INN)

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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 1.48 -41.94 1 3 1 26 285.392 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(diethylamino)-1-(10H-phenothiazin-10-yl)-1-ethanone 2-(diethylamino)-1-(10H-phenothi…

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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) 4.74 10.96 -38.06 1 3 1 26 313.446 4 ↓
    Hi High (pH 8-9.5) 4.74 8.63 -11.17 0 3 0 25 312.438 4 ↓

    Analogs

    480
    480
    896683
    896683
    1726987
    1726987
    1726989
    1726989
    3623563
    3623563

    Draw Identity 99% 90% 80% 70%

    Popular Name: Dimelazine (INN) Dimelazine (INN)

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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 1.28 -35.75 1 2 1 9 311.474 2 ↓

    Analogs

    1678383
    1678383

    Draw Identity 99% 90% 80% 70%

    Popular Name: RP-6484 RP-6484

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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) 5.75 13.18 -41.48 1 2 1 9 327.517 5 ↓

    Analogs

    37868619
    37868619

    Draw Identity 99% 90% 80% 70%

    Popular Name: Isothipendyl Isothipendyl

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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) 3.54 1.61 -39.61 1 3 1 22 286.424 3 ↓

    Analogs

    896683
    896683
    1726987
    1726987
    1726989
    1726989
    3623563
    3623563
    4558923
    4558923

    Draw Identity 99% 90% 80% 70%

    Popular Name: Methdilazine Methdilazine

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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) 4.61 11.38 -39.66 1 2 1 9 297.447 2 ↓

    Analogs

    1615
    1615

    Draw Identity 99% 90% 80% 70%

    Popular Name: Methiomeprazine (INN) Methiomeprazine (INN)

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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) 5.26 1.63 -39.16 1 2 1 9 345.557 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: Methopromazine (DCF Methopromazine (DCF

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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) 4.41 1.35 -43.84 1 3 1 18 315.462 5 ↓

    Analogs

    896849
    896849

    Draw Identity 99% 90% 80% 70%

    Popular Name: Propiomazine Propiomazine

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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) 4.82 12.01 -39.72 1 3 1 26 341.5 5 ↓
    Hi High (pH 8-9.5) 4.82 10.01 -8.91 0 3 0 25 340.492 5 ↓

    Analogs

    1842999
    1842999

    Draw Identity 99% 90% 80% 70%

    Popular Name: INN INN

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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 0.64 -50.2 0 4 -1 54 314.386 3 ↓

    Analogs

    3624031
    3624031

    Draw Identity 99% 90% 80% 70%

    Popular Name: 10-(2-(1-Methyl-2-piperidinyl)ethyl)phenothiazine; 10H-Phenothiazine, 10-(2-(1-methyl-2-piperidinyl)ethyl)-; BRN 0035467; LS-105601; Phenothiazine, 10-(2-(1-methyl-2-piperidyl)ethyl)- 10-(2-(1-Methyl-2-piperidinyl)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) 5.27 1.05 -35.45 1 2 1 9 325.501 3 ↓

    Analogs

    20250
    20250
    56647
    56647
    83387
    83387
    83388
    83388
    1705062
    1705062

    Draw Identity 99% 90% 80% 70%

    Popular Name: MI) MI)

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 0.49 3.3 -36.48 0 2 1 4 299.463 3 ↓

    Analogs

    896681
    896681
    1678381
    1678381

    Draw Identity 99% 90% 80% 70%

    Popular Name: Trimeprazine tartrate Trimeprazine tartrate

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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 11.77 -38.68 1 2 1 9 299.463 4 ↓

    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) 4.98 1.08 -11.54 0 5 0 51 382.485 3 ↓

    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) 4.98 1.07 -11.54 0 5 0 51 382.485 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: phenothiazin-10-ylcarbonylmethyl phenothiazin-10-ylcarbonylmethyl

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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) 6.20 2.47 -13.59 0 5 0 57 417.486 6 ↓

    Analogs

    6001112
    6001112
    6353365
    6353365
    7989831
    7989831
    7989832
    7989832
    42649725
    42649725

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2-chlorophenothiazin-10-yl)carbonylmethyl (2-chlorophenothiazin-10-yl)carb…

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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) 5.60 1.69 -9.99 0 4 0 48 361.85 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(2-chlorophenothiazin-10-yl)-2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethanone 1-(2-chlorophenothiazin-10-yl)-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) 7.84 0.48 -11.66 0 5 0 52 513.475 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(2-chlorophenothiazin-10-yl)-2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone 1-(2-chlorophenothiazin-10-yl)-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) 7.22 0.64 -12.87 0 6 0 61 509.056 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[[5-[(2,3-dimethylphenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenothiazin-10-yl-ethano 2-[[5-[(2,3-dimethylphenoxy)meth…

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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) 6.96 1.51 -14.94 0 6 0 61 502.665 7 ↓

    Analogs

    1561936
    1561936

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-benzo[c]phenothiazin-7-ylpropyl(trimethyl)ammonium 3-benzo[c]phenothiazin-7-ylpropy…

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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 15.05 -46.57 0 2 1 5 349.523 4 ↓

    Analogs

    19796018
    19796018

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-chloro-10-[3-[4-(2-chloroethyl)piperazin-1-yl]propyl]phenothiazine 2-chloro-10-[3-[4-(2-chloroethyl…

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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) 5.53 12.22 -48.22 1 3 1 13 423.433 6 ↓
    Hi High (pH 8-9.5) 5.53 9.96 -5.65 0 3 0 11 422.425 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-phenothiazin-10-yl-2-[[5-[2-(2-thienyl)ethylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone 1-phenothiazin-10-yl-2-[[5-[2-(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) 6.58 12.55 -13.8 1 5 0 60 482.681 7 ↓

    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) 4.37 9.58 -18.64 2 5 0 68 403.507 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-1-phenothiazin-10-yl-2-thiazol-2-ylsulfanyl-propan-1-one (2S)-1-phenothiazin-10-yl-2-thia…

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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) 5.60 10.29 -10.51 0 3 0 35 370.524 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-1-phenothiazin-10-yl-2-thiazol-2-ylsulfanyl-propan-1-one (2R)-1-phenothiazin-10-yl-2-thia…

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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) 5.60 10.36 -10.45 0 3 0 35 370.524 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5H-pyrido[3,4-b][1,4]benzothiazine 5H-pyrido[3,4-b][1,4]benzothiazine

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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) 2.92 5.35 -6.86 1 2 0 29 200.266 0 ↓
    Mid Mid (pH 6-8) 2.92 5.82 -33.99 2 2 1 30 201.274 0 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[[5-(2-furylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-phenothiazin-10-yl-ethanone 2-[[5-(2-furylmethylamino)-1,3,4…

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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) 5.53 10.78 -12.75 1 6 0 73 452.586 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(2-chlorophenothiazin-10-yl)-2-[[5-(2-furylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone 1-(2-chlorophenothiazin-10-yl)-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) 6.19 11 -11.47 1 6 0 73 487.031 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2-oxo-2-phenothiazin-10-yl-ethyl) (2-oxo-2-phenothiazin-10-yl-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) 4.70 12.83 -16.54 0 7 0 78 460.511 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2-chlorophenothiazin-10-yl)carbonylmethyl (2-chlorophenothiazin-10-yl)carb…

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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) 5.22 1.08 -13.45 1 6 0 77 466.946 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: phenothiazin-10-ylcarbonylmethyl phenothiazin-10-ylcarbonylmethyl

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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) 5.39 2.31 -14.17 0 6 0 66 439.924 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-N-(2-phenothiazin-10-ylethyl)butan-2-amine (2R)-N-(2-phenothiazin-10-ylethy…

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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) 5.07 10.71 -41 2 2 1 22 299.463 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-N-(2-phenothiazin-10-ylethyl)butan-2-amine (2S)-N-(2-phenothiazin-10-ylethy…

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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) 5.07 10.7 -41.04 2 2 1 22 299.463 5 ↓

    Analogs

    53156334
    53156334

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-phenothiazin-10-ylbutan-1-amine 4-phenothiazin-10-ylbutan-1-amine

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    PDR5-1-F Pleiotropic ABC Efflux Transporter Of Multiple Drugs (cluster #1 Of 1), Fungal Fungi 3100 0.41 Binding ≤ 10μM
    ChEMBL Target Annotations
    Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
    PDR5_YEAST P33302 Pleiotropic ABC Efflux Transporter Of Multiple Drugs, Yeast 3100 0.41 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) 3.42 8.19 -47.08 3 2 1 33 271.409 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2-phenothiazin-10-ylethyl)prop-2-en-1-amine N-(2-phenothiazin-10-ylethyl)pro…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 4.16 9.93 -42.81 2 2 1 22 283.42 5 ↓
    Hi High (pH 8-9.5) 4.16 8.57 -6.08 1 2 0 17 282.412 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2-phenothiazin-10-ylethyl)prop-2-yn-1-amine N-(2-phenothiazin-10-ylethyl)pro…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.67 8.51 -7 1 2 0 17 280.396 4 ↓
    Mid Mid (pH 6-8) 3.67 9.87 -43.84 2 2 1 22 281.404 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(cyclopropylmethyl)-2-phenothiazin-10-yl-ethanamine N-(cyclopropylmethyl)-2-phenothi…

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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 10.93 -44.09 2 2 1 22 297.447 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-methyl-N-(2-phenothiazin-10-ylethyl)propan-1-amine 2-methyl-N-(2-phenothiazin-10-yl…

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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) 4.63 10.81 -43.19 2 2 1 22 299.463 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-methoxy-N-(2-phenothiazin-10-ylethyl)ethanamine 2-methoxy-N-(2-phenothiazin-10-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) 3.50 8.51 -41.85 2 3 1 31 301.435 6 ↓
    Hi High (pH 8-9.5) 3.50 7.18 -6.71 1 3 0 26 300.427 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-methyl-4-phenothiazin-10-yl-butan-1-amine N-methyl-4-phenothiazin-10-yl-bu…

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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) 4.40 10.07 -42.53 2 2 1 22 285.436 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-ethyl-4-phenothiazin-10-yl-butan-1-amine N-ethyl-4-phenothiazin-10-yl-but…

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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) 4.43 10.92 -41.57 2 2 1 22 299.463 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: Ketone, 2-chlorophenothiazin-10-yl (4-(2-hydroxyethyl)-1-piperazinyl)methyl, dihydrochloride; LS-87100; Phenothiazine, 2-chloro-10-(2-(4-(2-hydroxyethyl)-1-piperazinyl)acetyl)-, dihydrochloride Ketone, 2-chlorophenothiazin-10-…

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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) 3.90 4.27 -9.3 1 5 0 49 403.935 4 ↓
    Mid Mid (pH 6-8) 3.90 6.61 -36.59 2 5 1 50 404.943 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(2-dimethylaminoethyl-methyl-amino)-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone 2-(2-dimethylaminoethyl-methyl-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) 4.89 9.85 -46.65 1 4 1 30 410.485 6 ↓
    Hi High (pH 8-9.5) 4.89 7.55 -10.56 0 4 0 28 409.477 6 ↓
    Mid Mid (pH 6-8) 4.89 9.86 -44.12 1 4 1 30 410.485 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone 2-[4-[2-(2-hydroxyethoxy)ethyl]p…

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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) 4.01 7.34 -38.61 2 6 1 59 482.548 8 ↓
    Hi High (pH 8-9.5) 4.01 5.25 -12.95 1 6 0 58 481.54 8 ↓

    Analogs

    33248766
    33248766

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-tert-butyl-N-[1-(3-methyl-4H-1,4-benzothiazin-2-yl)ethylideneamino]aniline 4-tert-butyl-N-[1-(3-methyl-4H-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) 7.95 11.37 -7.85 2 3 0 40 351.519 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[1-(3-methyl-4H-1,4-benzothiazin-2-yl)ethylideneamino]-2-(trifluoromethyl)aniline N-[1-(3-methyl-4H-1,4-benzothiaz…

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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) 7.09 10.12 -9.62 2 3 0 40 363.408 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2-oxo-2-phenothiazin-10-yl-ethyl) (2-oxo-2-phenothiazin-10-yl-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) 5.30 11.46 -18.87 2 8 0 120 421.434 5 ↓

    Analogs

    1223337
    1223337

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenothiazin-10-yl-ethanone 2-[[5-[(2,5-dimethylphenoxy)meth…

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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) 6.28 9.52 -13.26 0 6 0 70 475.595 6 ↓

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    Structural Results Found: (before additional filtering)

    SQL Query Was

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    //zinc12.docking.org/results/combination?ring.id=157&filter.purchasability=annotated

    Embed Link to Results

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