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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

    1995496
    1995496

    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) -0.14 -4.54 -15.28 2 5 0 75 234.255 3 ↓

    Analogs

    1842857
    1842857

    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) -2.41 2.88 -41.61 0 5 1 52 251.306 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 6-methyl-5-(1-naphthyl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one 6-methyl-5-(1-naphthyl)-1-phenyl…

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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) 3.61 2.68 -14.64 0 5 0 52 352.397 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-(2-bromophenyl)-6-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one 5-(2-bromophenyl)-6-methyl-1-phe…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.21 1.73 -14.05 0 5 0 52 381.233 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5,6-dibenzyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one 5,6-dibenzyl-1-phenyl-pyrazolo[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) 4.54 2.46 -15.13 0 5 0 52 392.462 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-allyl-6,6-dimethyl-2-[(2-methyl-2-propenyl)sulfanyl]-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one 3-allyl-6,6-dimethyl-2-[(2-methy…

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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) 4.54 0.11 -8.77 0 4 0 44 362.52 5 ↓

    Analogs

    4785688
    4785688

    Draw Identity 99% 90% 80% 70%

    Popular Name: (ethylthio)-dimethyl-(2-methylallyl)BLAHone (ethylthio)-dimethyl-(2-methylal…

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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) 4.27 -0.26 -8.51 0 4 0 44 350.509 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: allyl-dimethyl-(phenacylthio)BLAHone allyl-dimethyl-(phenacylthio)BLA…

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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) 4.49 11.32 -11.39 0 5 0 61 426.563 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 6-benzyl-5-(3,4-dimethylphenyl)-1-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one 6-benzyl-5-(3,4-dimethylphenyl)-…

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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) 5.25 3.35 -12.5 0 5 0 52 406.489 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-(4-bromophenyl)-6,6-dimethyl-2-(methylsulfanyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one 3-(4-bromophenyl)-6,6-dimethyl-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) 4.79 -1.47 -9.26 0 4 0 44 437.384 2 ↓

    Analogs

    1299643
    1299643
    1299644
    1299644

    Draw Identity 99% 90% 80% 70%

    Popular Name: 6-ethyl-3-(4-methoxyphenyl)-6-methyl-2-[(2-methyl-2-propenyl)sulfanyl]-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one 6-ethyl-3-(4-methoxyphenyl)-6-me…

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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) 5.73 0.34 -10.3 0 5 0 53 442.606 6 ↓

    Analogs

    1299643
    1299643
    1299644
    1299644

    Draw Identity 99% 90% 80% 70%

    Popular Name: 6-ethyl-3-(4-methoxyphenyl)-6-methyl-2-[(2-methyl-2-propenyl)sulfanyl]-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one 6-ethyl-3-(4-methoxyphenyl)-6-me…

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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) 5.73 0.29 -10.32 0 5 0 53 442.606 6 ↓

    Analogs

    16556415
    16556415
    16559904
    16559904
    16563943
    16563943
    21762045
    21762045

    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) 3.60 12.38 -15.1 0 7 0 79 412.478 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[[7-methyl-2-oxo-4-(4-tert-butylphenoxy)-1,5-diazabicyclo[4.4.0]deca-3,5,7,9-tetraen-3-yl]methylen 2-[[7-methyl-2-oxo-4-(4-tert-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) 5.02 5.07 -15.27 0 6 0 91 384.439 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2-oxo-7-thia-1,5-diazabicyclo[4.3.0]nona-3,5,8-trien-4-yl)methyl (2-oxo-7-thia-1,5-diazabicyclo[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) 3.43 0.82 -18.98 0 7 0 77 386.82 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[[8-(2-isopropyl-5-methyl-phenoxy)-10-oxo-1,7-diazabicyclo[4.4.0]deca-2,4,6,8-tetraen-9-yl]methyle 2-[[8-(2-isopropyl-5-methyl-phen…

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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) 4.33 4.49 -16.58 0 6 0 91 370.412 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[[8-(2-fluorophenoxy)-10-oxo-1,7-diazabicyclo[4.4.0]deca-2,4,6,8-tetraen-9-yl]methylene]propanedin 2-[[8-(2-fluorophenoxy)-10-oxo-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) 3.03 4.13 -17.98 0 6 0 91 332.294 3 ↓

    Analogs

    2409632
    2409632

    Draw Identity 99% 90% 80% 70%

    Popular Name: (4-fluorophenyl)methyl-imino-N-methyl-oxo-BLAHcarboxamide (4-fluorophenyl)methyl-imino-N-m…

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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) -1.51 9.37 -33.34 3 7 1 93 378.387 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (4-chlorophenyl)methyl-N-ethyl-imino-oxo-BLAHcarboxamide (4-chlorophenyl)methyl-N-ethyl-i…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) -0.62 10.67 -31.87 3 7 1 93 408.869 4 ↓

    Analogs

    5047173
    5047173

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(benzo[1,3]dioxol-5-ylmethyl)-imino-dimethyl-oxo-BLAHcarboxamide N-(benzo[1,3]dioxol-5-ylmethyl)-…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) -1.57 8.49 -32.9 3 9 1 112 418.433 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[3-(2,2-dicyanovinyl)-7-methyl-2-oxo-1,5-diazabicyclo[4.4.0]deca-3,5,7,9-tetraen-4-yl]piperidine-4 1-[3-(2,2-dicyanovinyl)-7-methyl…

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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) 1.17 0.89 -22.33 2 8 0 128 362.393 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[[4-(2-fluorophenoxy)-7-methyl-2-oxo-1,5-diazabicyclo[4.4.0]deca-3,5,7,9-tetraen-3-yl]methylene]pr 2-[[4-(2-fluorophenoxy)-7-methyl…

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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) 3.43 4.61 -17.27 0 6 0 91 346.321 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-(4-azepan-1-yl-2-oxo-1,5-diazabicyclo[4.4.0]deca-3,5,7,9-tetraen-3-yl)-2-cyano-N-(2-furylmethyl)pr 3-(4-azepan-1-yl-2-oxo-1,5-diaza…

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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) 2.65 10.37 -17.49 1 8 0 104 417.469 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[[4-(4-methoxyphenoxy)-7-methyl-2-oxo-1,5-diazabicyclo[4.4.0]deca-3,5,7,9-tetraen-3-yl]methylene]p 2-[[4-(4-methoxyphenoxy)-7-methy…

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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 3.93 -16.33 0 7 0 100 358.357 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[[4-(4-chloro-3-methyl-phenoxy)-7-methyl-2-oxo-1,5-diazabicyclo[4.4.0]deca-3,5,7,9-tetraen-3-yl]me 2-[[4-(4-chloro-3-methyl-phenoxy…

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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 4.21 -14.61 0 6 0 91 376.803 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[3-(2-carbamoyl-2-cyano-vinyl)-7-methyl-2-oxo-1,5-diazabicyclo[4.4.0]deca-3,5,7,9-tetraen-4-yl]pip 1-[3-(2-carbamoyl-2-cyano-vinyl)…

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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) 0.11 -3.3 -21.83 4 9 0 147 380.408 4 ↓

    Analogs

    6519892
    6519892
    13122692
    13122692

    Draw Identity 99% 90% 80% 70%

    Popular Name: 8-(2-cyclohexylethyl)-5-imino-4-(1H-indol-3-ylmethylene)-9-thia-2,6,7-triazabicyclo[4.3.0]nona-1,7-d 8-(2-cyclohexylethyl)-5-imino-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) 4.38 9.42 -19.07 2 6 0 86 405.527 4 ↓
    Lo Low (pH 4.5-6) 4.38 9.88 -37.47 3 6 1 87 406.535 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[[4-(3,5-dimethylphenoxy)-7-methyl-2-oxo-1,5-diazabicyclo[4.4.0]deca-3,5,7,9-tetraen-3-yl]methylen 2-[[4-(3,5-dimethylphenoxy)-7-me…

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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) 4.14 4.72 -16.22 0 6 0 91 356.385 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2-oxo-7-thia-1,5-diazabicyclo[4.3.0]nona-3,5,8-trien-4-yl)methyl (2-oxo-7-thia-1,5-diazabicyclo[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) 2.56 -1.23 -16.51 0 7 0 86 390.471 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[3-[2-(allylcarbamoyl)-2-cyano-vinyl]-7-methyl-2-oxo-1,5-diazabicyclo[4.4.0]deca-3,5,7,9-tetraen-4 1-[3-[2-(allylcarbamoyl)-2-cyano…

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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 -1.86 -21.5 3 9 0 133 420.473 6 ↓

    Analogs

    6355781
    6355781
    6355789
    6355789
    33810516
    33810516
    35450246
    35450246
    35450250
    35450250

    Draw Identity 99% 90% 80% 70%

    Popular Name: isopentylsulfanyl-(2-methoxyphenyl)-BLAHdione isopentylsulfanyl-(2-methoxyphen…

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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) 4.79 10.6 -27.29 2 6 0 84 425.554 6 ↓

    Analogs

    6355781
    6355781
    6355789
    6355789
    33810516
    33810516
    35450246
    35450246
    35450250
    35450250

    Draw Identity 99% 90% 80% 70%

    Popular Name: isopentylsulfanyl-(2-methoxyphenyl)-BLAHdione isopentylsulfanyl-(2-methoxyphen…

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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) 4.79 10.59 -27.24 2 6 0 84 425.554 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: chloro-[2-(4-fluorophenyl)ethyl]BLAHone chloro-[2-(4-fluorophenyl)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) 4.92 0.59 -15.1 1 4 0 50 341.773 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-isopropyl-2-(oxoBLAHyl)-N-phenyl-acetamide N-isopropyl-2-(oxoBLAHyl)-N-phen…

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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 2.06 -25.39 0 6 0 68 361.401 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-cyclohexyl-N-ethyl-2-(oxoBLAHyl)-acetamide N-cyclohexyl-N-ethyl-2-(oxoBLAHy…

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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) 3.11 10.73 -23.21 0 6 0 68 353.422 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2-fluoro-5-nitro-phenyl)-2-(oxoBLAHyl)-acetamide N-(2-fluoro-5-nitro-phenyl)-2-(o…

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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) 2.33 9.01 -29.46 1 9 0 123 382.307 4 ↓

    Analogs

    7007057
    7007057

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2-phenylthiazol-4-yl)methylBLAHone (2-phenylthiazol-4-yl)methylBLAHone

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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 0.07 -15.56 0 5 0 60 359.41 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2-oxo-7-thia-1,5-diazabicyclo[4.3.0]nona-3,5,8-trien-4-yl)methylBLAHone (2-oxo-7-thia-1,5-diazabicyclo[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) 2.16 9.25 -43.93 1 7 1 84 351.367 2 ↓
    Mid Mid (pH 6-8) 2.16 8.71 -25.97 0 7 0 82 350.359 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: methyl methyl

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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) 2.83 9.72 -35.63 1 8 0 103 391.383 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2,2-difluorobenzo[1,3]dioxol-5-yl)-2-(oxoBLAHyl)-acetamide N-(2,2-difluorobenzo[1,3]dioxol-…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.80 0.47 -30.17 1 8 0 95 399.309 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (6,7-dimethyl-2-oxo-chromen-4-yl)methylBLAHone (6,7-dimethyl-2-oxo-chromen-4-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) 3.88 11.88 -27.65 0 6 0 78 372.38 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2-bromophenyl)methylBLAHone (2-bromophenyl)methylBLAHone

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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 0.55 -12.44 0 4 0 48 355.191 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3,4-dichlorophenyl)methylBLAHone (3,4-dichlorophenyl)methylBLAHone

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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) 4.36 1.13 -22.55 0 4 0 48 345.185 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5-methyl-6-thia-2-azabicyclo[5.4.0]undeca-8,10,12-trien-2-yl)carbonylmethylBLAHone (5-methyl-6-thia-2-azabicyclo[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) 3.41 1.17 -19.99 0 6 0 68 405.479 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5-methyl-6-thia-2-azabicyclo[5.4.0]undeca-8,10,12-trien-2-yl)carbonylmethylBLAHone (5-methyl-6-thia-2-azabicyclo[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) 3.41 1.16 -26.13 0 6 0 68 405.479 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-(oxoBLAHyl)-acetamide N-[2-(cyanomethylsulfanyl)phenyl…

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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) 2.45 1.3 -29.54 1 7 0 100 390.424 5 ↓

    Analogs

    5797203
    5797203

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-[(oxoBLAHyl)methyl]benzonitrile 3-[(oxoBLAHyl)methyl]benzonitrile

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.80 2.79 -26.17 0 5 0 71 301.305 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(2-methoxyphenyl)methyl]-N-methyl-2-(oxoBLAHyl)-acetamide N-[(2-methoxyphenyl)methyl]-N-me…

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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 11.01 -26.16 0 7 0 78 377.4 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[1-(2-chlorophenyl)ethyl]-2-(oxoBLAHyl)-acetamide N-[1-(2-chlorophenyl)ethyl]-2-(o…

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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) 3.17 0.19 -27.74 1 6 0 77 381.819 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[1-(2-chlorophenyl)ethyl]-2-(oxoBLAHyl)-acetamide N-[1-(2-chlorophenyl)ethyl]-2-(o…

    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) 3.17 0.19 -26.76 1 6 0 77 381.819 4 ↓

    Parameters Provided:

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filter.purchasability = annotated
page.format = targets
page.num = 1

    Structural Results Found: (before additional filtering)

    SQL Query Was

    SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 183 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

    Permalink

    //zinc12.docking.org/results/combination?ring.id=183&filter.purchasability=annotated

    Embed Link to Results

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