• Notice: Undefined index: synonym
    file: /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php
    line: 245
    • Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
    UCSF
    ZINC Item Suppliers, Protomers, & Similar Substances

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: ethyl ethyl

    Find On: PubMed — Wikipedia — Google

    Vendors

    Activity (Go SEA)

    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) 2.78 10.12 -21.89 1 8 0 89 466.563 7 ↓
    Hi High (pH 8-9.5) 2.78 10.92 -63.83 0 8 -1 92 465.555 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: ethyl ethyl

    Find On: PubMed — Wikipedia — Google

    Vendors

    Activity (Go SEA)

    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) 2.78 10.12 -22.15 1 8 0 89 466.563 7 ↓
    Hi High (pH 8-9.5) 2.78 10.91 -63.05 0 8 -1 92 465.555 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: methyl methyl

    Find On: PubMed — Wikipedia — Google

    Vendors

    And 2 More

    Activity (Go SEA)

    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) 6.18 1.87 -13.7 0 6 0 78 454.573 10 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-N'-phenylurea N-(1,5-dimethyl-2-phenyl-2,3-dih…

    Find On: PubMed — Wikipedia — Google

    Vendors

    And 10 More

    Activity (Go SEA)

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.53 7.28 -27.78 2 6 0 68 322.368 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N'-ethylsulfanylcarbothioylpyridine-4-carbohydrazide N'-ethylsulfanylcarbothioylpyrid…

    Find On: PubMed — Wikipedia — Google

    Vendors

    And 3 More

    Activity (Go SEA)

    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) 0.91 3.82 -11.76 2 4 0 54 241.341 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2-furfuryl)carbamodithioic-acid-(3-amino-3-keto-propyl)-ester N-(2-furfuryl)carbamodithioic-ac…

    Find On: PubMed — Wikipedia — Google

    Vendors

    And 4 More

    Activity (Go SEA)

    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) 0.69 1.67 -16.26 3 4 0 68 244.341 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: methyl methyl

    Find On: PubMed — Wikipedia — Google

    Vendors

    And 6 More

    Activity (Go SEA)

    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) 2.31 -0.56 -16.18 1 6 0 81 300.343 5 ↓
    Mid Mid (pH 6-8) 2.31 -0.3 -45.5 2 6 1 82 301.351 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: methyl methyl

    Find On: PubMed — Wikipedia — Google

    Vendors

    And 3 More

    Activity (Go SEA)

    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 3.29 -9.47 0 4 0 52 404.413 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(3-bromobenzoyl)amino]-N'-(o-tolyl)-1-sulfanyl-formamidine N-[(3-bromobenzoyl)amino]-N'-(o-…

    Find On: PubMed — Wikipedia — Google

    Vendors

    And 3 More

    Activity (Go SEA)

    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 8.78 -16.46 3 4 0 53 364.268 5 ↓

    Analogs

    6492820
    6492820

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(4-chlorophenyl)ethanone N-(2-methoxyphenyl)thiosemicarbazone 1-(4-chlorophenyl)ethanone N-(2-…

    Find On: PubMed — Wikipedia — Google

    Vendors

    And 3 More

    Activity (Go SEA)

    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 -1.07 -11.48 2 4 0 45 333.844 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2-hydroxyethylthiocarbamoyl)benzamide N-(2-hydroxyethylthiocarbamoyl)b…

    Find On: PubMed — Wikipedia — Google

    Vendors

    And 3 More

    Activity (Go SEA)

    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) 0.69 1.61 -19.95 3 4 0 61 224.285 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N'-allyl-N-(3-aminophenyl)-1-sulfanyl-formamidine N'-allyl-N-(3-aminophenyl)-1-sul…

    Find On: PubMed — Wikipedia — Google

    Vendors

    And 3 More

    Activity (Go SEA)

    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) 1.72 3.46 -9.48 4 3 0 52 207.302 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(ethylimino-sulfanyl-methyl)amino-3-phenyl-urea 1-(ethylimino-sulfanyl-methyl)am…

    Find On: PubMed — Wikipedia — Google

    Vendors

    And 3 More

    Activity (Go SEA)

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 1.77 4.21 -12.1 4 5 0 65 238.316 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[(4,6-diphenylpyrimidin-2-yl)sulfanylmethyl]-1H-benzimidazole 2-[(4,6-diphenylpyrimidin-2-yl)s…

    Find On: PubMed — Wikipedia — Google

    Vendors

    And 3 More

    Activity (Go SEA)

    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) 6.24 -1.9 -13.89 1 4 0 54 394.503 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2,2-dimethyl-3-(p-tolyl)-1H-quinazolin-4-one 2,2-dimethyl-3-(p-tolyl)-1H-quin…

    Find On: PubMed — Wikipedia — Google

    Vendors

    And 5 More

    Activity (Go SEA)

    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) 2.87 0.21 -10.89 1 3 0 32 266.344 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: methyl methyl

    Find On: PubMed — Wikipedia — Google

    Vendors

    Activity (Go SEA)

    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) 1.03 3.18 -8.93 1 5 0 65 209.201 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: ethyl ethyl

    Find On: PubMed — Wikipedia — Google

    Vendors

    Activity (Go SEA)

    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 7.68 -10.49 1 5 0 68 338.285 6 ↓
    Hi High (pH 8-9.5) 3.16 7.05 -44.48 0 5 -1 75 337.277 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(2-Hydroxyphenyl)pyrrolidine-2,5-dione 1-(2-Hydroxyphenyl)pyrrolidine-2…

    Find On: PubMed — Wikipedia — Google

    Vendors

    And 20 More

    Activity (Go SEA)

    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 2.39 -14.18 1 4 0 58 191.186 1 ↓

    Analogs

    8247304
    8247304
    9987868
    9987868

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-{[(5-{[2-(4-morpholinyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl}morpholine 4-{[(5-{[2-(4-morpholinyl)-2-oxo…

    Find On: PubMed — Wikipedia — Google

    Vendors

    And 9 More

    Activity (Go SEA)

    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) 0.37 -5.02 -14.13 0 8 0 84 404.539 6 ↓

    Analogs

    33328720
    33328720
    33328721
    33328721

    Draw Identity 99% 90% 80% 70%

    Popular Name: ethyl ethyl

    Find On: PubMed — Wikipedia — Google

    Vendors

    And 8 More

    Activity (Go SEA)

    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 9.89 -18.66 2 8 0 110 417.516 7 ↓
    Mid Mid (pH 6-8) 2.44 10.38 -47.46 3 8 1 111 418.524 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-(2-furyl)-6-(trifluoromethyl)-2-pyrimidinyl 2-(4-morpholinyl)-2-oxoethyl sulfide 4-(2-furyl)-6-(trifluoromethyl)-…

    Find On: PubMed — Wikipedia — Google

    Vendors

    And 11 More

    Activity (Go SEA)

    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) 2.85 0.16 -10.38 0 6 0 68 373.356 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[2-(2-amino-2-oxo-ethyl)sulfanylpyrimidin-4-yl]sulfanylacetamide 2-[2-(2-amino-2-oxo-ethyl)sulfan…

    Find On: PubMed — Wikipedia — Google

    Vendors

    And 7 More

    Activity (Go SEA)

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) -0.33 -7.21 -15.19 4 6 0 112 258.328 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%


    Notice: Undefined index: field_name in /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php on line 244

    Notice: Undefined index: synonym in /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php on line 245

    Popular Name:

    Find On: PubMed — Wikipedia — Google

    Vendors

    And 8 More

    Activity (Go SEA)

    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 5.24 -18.55 0 8 0 85 448.57 6 ↓

    Analogs

    5059367
    5059367
    7535407
    7535407
    19797576
    19797576

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-piperazin-1-yl-ethanone 2-[(5-amino-1,3,4-thiadiazol-2-y…

    Find On: PubMed — Wikipedia — Google

    Vendors

    Activity (Go SEA)

    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 -0.34 -11.23 3 6 0 84 259.36 3 ↓
    Mid Mid (pH 6-8) -0.49 0.99 -52.76 4 6 1 89 260.368 3 ↓

    Analogs

    12136868
    12136868

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(4-ethoxyphenyl)-2-[(5S)-3-(4-fluorophenyl)-2,4-dioxo-thiazolidin-5-yl]acetamide N-(4-ethoxyphenyl)-2-[(5S)-3-(4-…

    Find On: PubMed — Wikipedia — Google

    Vendors

    And 3 More

    Activity (Go SEA)

    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 0.3 -13.26 1 6 0 76 388.42 6 ↓

    Analogs

    12136867
    12136867

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(4-ethoxyphenyl)-2-[(5R)-3-(4-fluorophenyl)-2,4-dioxo-thiazolidin-5-yl]acetamide N-(4-ethoxyphenyl)-2-[(5R)-3-(4-…

    Find On: PubMed — Wikipedia — Google

    Vendors

    And 3 More

    Activity (Go SEA)

    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 0.3 -13.52 1 6 0 76 388.42 6 ↓

    Analogs

    12136860
    12136860

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5R)-5-[(4-chlorophenyl)amino]-3-(4-fluorophenyl)thiazolidine-2,4-dione (5R)-5-[(4-chlorophenyl)amino]-3…

    Find On: PubMed — Wikipedia — Google

    Vendors

    And 3 More

    Activity (Go SEA)

    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) 3.91 -0.41 -7.98 1 4 0 49 336.775 3 ↓

    Analogs

    12136859
    12136859

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5S)-5-[(4-chlorophenyl)amino]-3-(4-fluorophenyl)thiazolidine-2,4-dione (5S)-5-[(4-chlorophenyl)amino]-3…

    Find On: PubMed — Wikipedia — Google

    Vendors

    And 3 More

    Activity (Go SEA)

    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) 3.91 -0.33 -7.59 1 4 0 49 336.775 3 ↓

    Analogs

    36626560
    36626560
    36626561
    36626561

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5R)-3-(2-bromoethyl)-5-[(4-fluorophenyl)amino]thiazolidine-2,4-dione (5R)-3-(2-bromoethyl)-5-[(4-fluo…

    Find On: PubMed — Wikipedia — Google

    Vendors

    Activity (Go SEA)

    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) 2.27 -1.63 -6.78 1 4 0 49 333.182 4 ↓

    Analogs

    36626560
    36626560
    36626561
    36626561

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5S)-3-(2-bromoethyl)-5-[(4-fluorophenyl)amino]thiazolidine-2,4-dione (5S)-3-(2-bromoethyl)-5-[(4-fluo…

    Find On: PubMed — Wikipedia — Google

    Vendors

    Activity (Go SEA)

    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) 2.27 -1.61 -6.31 1 4 0 49 333.182 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: methyl methyl

    Find On: PubMed — Wikipedia — Google

    Vendors

    And 3 More

    Activity (Go SEA)

    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) 0.72 4.37 -28.54 2 6 0 85 262.265 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: methyl methyl

    Find On: PubMed — Wikipedia — Google

    Vendors

    And 3 More

    Activity (Go SEA)

    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) 3.04 2.67 -10.54 0 6 0 67 388.42 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: methyl methyl

    Find On: PubMed — Wikipedia — Google

    Vendors

    And 3 More

    Activity (Go SEA)

    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) 3.04 2.52 -10.65 0 6 0 67 388.42 7 ↓

    Analogs

    12112955
    12112955
    39857134
    39857134
    39857157
    39857157
    39857319
    39857319
    39857320
    39857320

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5Z)-5-[(4-dimethylaminophenyl)methylene]-3-(4-fluorophenyl)thiazolidine-2,4-dione (5Z)-5-[(4-dimethylaminophenyl)m…

    Find On: PubMed — Wikipedia — Google

    Vendors

    And 2 More

    Activity (Go SEA)

    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 2.11 -9.28 0 4 0 42 342.395 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[(5S)-3-(4-fluorophenyl)-2,4-dioxo-thiazolidin-5-yl]-N-(m-tolyl)acetamide 2-[(5S)-3-(4-fluorophenyl)-2,4-d…

    Find On: PubMed — Wikipedia — Google

    Vendors

    And 3 More

    Activity (Go SEA)

    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) 3.26 0.58 -11.49 1 5 0 66 358.394 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[(5R)-3-(4-fluorophenyl)-2,4-dioxo-thiazolidin-5-yl]-N-(m-tolyl)acetamide 2-[(5R)-3-(4-fluorophenyl)-2,4-d…

    Find On: PubMed — Wikipedia — Google

    Vendors

    And 3 More

    Activity (Go SEA)

    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) 3.26 0.68 -12.08 1 5 0 66 358.394 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(1H-benzimidazol-2-ylsulfanyl)-N'-phenyl-acetohydrazide 2-(1H-benzimidazol-2-ylsulfanyl)…

    Find On: PubMed — Wikipedia — Google

    Vendors

    And 1 More

    Activity (Go SEA)

    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) 2.91 6.17 -12.16 3 5 0 70 298.371 5 ↓

    Analogs

    39856933
    39856933
    39856934
    39856934
    39856975
    39856975
    39856976
    39856976
    39856977
    39856977

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5Z)-5-[(4-dimethylaminophenyl)methylene]-3-(o-tolyl)thiazolidine-2,4-dione (5Z)-5-[(4-dimethylaminophenyl)m…

    Find On: PubMed — Wikipedia — Google

    Vendors

    And 2 More

    Activity (Go SEA)

    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 2.18 -11.33 0 4 0 42 338.432 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-[(3-amino-3-oxopropyl)disulfanyl]propanamide 3-[(3-amino-3-oxopropyl)disulfan…

    Find On: PubMed — Wikipedia — Google

    Vendors

    And 8 More

    Activity (Go SEA)

    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 -0.43 -11.8 4 4 0 86 208.308 7 ↓

    Analogs

    5214092
    5214092
    39856933
    39856933
    39856934
    39856934
    39856994
    39856994
    39857008
    39857008

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-[(4-bromophenyl)methylene]-3-(o-tolyl)thiazolidine-2,4-dione 5-[(4-bromophenyl)methylene]-3-(…

    Find On: PubMed — Wikipedia — Google

    Vendors

    And 3 More

    Activity (Go SEA)

    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 1.36 -10.05 0 3 0 39 374.259 2 ↓

    Analogs

    39856933
    39856933
    39856934
    39856934
    39856935
    39856935
    39856936
    39856936
    39856937
    39856937

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-benzylidene-3-(o-tolyl)thiazolidine-2,4-dione 5-benzylidene-3-(o-tolyl)thiazol…

    Find On: PubMed — Wikipedia — Google

    Vendors

    And 4 More

    Activity (Go SEA)

    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) 3.44 2.14 -10.2 0 3 0 39 295.363 2 ↓

    Analogs

    39856937
    39856937
    39856938
    39856938
    39856940
    39856940
    39856944
    39856944
    39856945
    39856945

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5Z)-5-[(4-hydroxy-3-methoxy-phenyl)methylene]-3-(o-tolyl)thiazolidine-2,4-dione (5Z)-5-[(4-hydroxy-3-methoxy-phe…

    Find On: PubMed — Wikipedia — Google

    Vendors

    Activity (Go SEA)

    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) 2.78 6.87 -12.83 1 5 0 69 341.388 3 ↓

    Analogs

    39856933
    39856933
    39856934
    39856934
    39856936
    39856936
    39856937
    39856937
    39856938
    39856938

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-[(4-hydroxyphenyl)methylene]-3-(o-tolyl)thiazolidine-2,4-dione 5-[(4-hydroxyphenyl)methylene]-3…

    Find On: PubMed — Wikipedia — Google

    Vendors

    And 3 More

    Activity (Go SEA)

    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) 2.96 0.17 -11.87 1 4 0 59 311.362 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: methyl methyl

    Find On: PubMed — Wikipedia — Google

    Vendors

    And 4 More

    Activity (Go SEA)

    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 6.87 -12.9 1 5 0 72 290.344 5 ↓

    Analogs

    16755326
    16755326

    Draw Identity 99% 90% 80% 70%

    Popular Name: methyl 4-{[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]methyl}benzoate methyl 4-{[(4,6-dimethyl-2-pyrim…

    Find On: PubMed — Wikipedia — Google

    Vendors

    And 10 More

    Activity (Go SEA)

    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) 3.91 1.02 -10.5 0 4 0 52 288.372 5 ↓

    Analogs

    34610330
    34610330
    34610331
    34610331
    34975642
    34975642
    34975644
    34975644
    34975646
    34975646

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(4-Fluorophenyl)-3-oxobutanenitrile 2-(4-Fluorophenyl)-3-oxobutaneni…

    Find On: PubMed — Wikipedia — Google

    Vendors

    And 17 More

    Activity (Go SEA)

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 1.87 6.05 -10.74 0 2 0 41 177.178 2 ↓

    Analogs

    3913645
    3913645
    34610330
    34610330
    34610331
    34610331
    34975642
    34975642
    34975644
    34975644

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(4-Fluorophenyl)-3-oxobutanenitrile 2-(4-Fluorophenyl)-3-oxobutaneni…

    Find On: PubMed — Wikipedia — Google

    Vendors

    And 17 More

    Activity (Go SEA)

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 1.87 6.04 -10.31 0 2 0 41 177.178 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-methyl-2-(2-methylprop-2-enyl)-4H-pyrazol-3-one 5-methyl-2-(2-methylprop-2-enyl)…

    Find On: PubMed — Wikipedia — Google

    Vendors

    And 7 More

    Activity (Go SEA)

    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) 1.27 3.81 -8.21 0 3 0 33 152.197 2 ↓

    Analogs

    26512381
    26512381
    26512383
    26512383
    26512424
    26512424
    26512540
    26512540
    26512596
    26512596

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-(4-fluorophenyl)-3-methylisoxazol-5-amine 4-(4-fluorophenyl)-3-methylisoxa…

    Find On: PubMed — Wikipedia — Google

    Vendors

    And 18 More

    Activity (Go SEA)

    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) 2.14 0.3 -5.76 2 3 0 52 192.193 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: methyl methyl

    Find On: PubMed — Wikipedia — Google

    Vendors

    Activity (Go SEA)

    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) 0.94 3.62 -8.99 1 5 0 76 201.222 5 ↓

    Parameters Provided:

    page.format = basic
page.num = 1
catalog.name = innova
filter.purchasability = purchasable

    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  WHERE c.free = 1 AND c.short_name LIKE 'innova' AND ci.sub_id_fk IN (SELECT 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  WHERE c.free = 1 AND c.purchasable IN (1,2,4,5)   )    LIMIT 50

    Permalink

    //zinc12.docking.org/results/combination?catalog.name=innova&filter.purchasability=purchasable

    Embed Link to Results

  • Notice: Undefined index: synonym
    file: /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php
    line: 245