Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_et4c83bkvdh8ggnc6vpb4tbki6, O_RDWR) failed: No such file or directory (2) in /domains/zinc12/htdocs/lib/zinc/user/ZincAuthentication.php on line 109

Warning: session_write_close() [function.session-write-close]: Failed to write session data (files). Please verify that the current setting of session.save_path is correct (/tmp/session) in /domains/zinc12/htdocs/lib/zinc/user/ZincAuthentication.php on line 109
  • Notice: Undefined index: synonym
    file: /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php
    line: 245
  • Notice: Undefined index: field_name
    file: /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php
    line: 244
  • 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: 5,6,7-trimethoxy-4-(3,4,5-trimethoxyphenyl)chromen-2-one 5,6,7-trimethoxy-4-(3,4,5-trimet…

    Find On: PubMed — Wikipedia — Google

    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) 3.17 8 -11.55 0 8 0 86 402.399 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-(2-oxo-4-phenyl-chromen-7-yl)oxypropanoic 3-(2-oxo-4-phenyl-chromen-7-yl)o…

    Find On: PubMed — Wikipedia — Google

    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) 3.29 2.17 -45.31 0 5 -1 80 309.297 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2,2-dimethyl-3-(8-methyl-2-oxo-4-phenyl-chromen-7-yl)oxy-propanoic 2,2-dimethyl-3-(8-methyl-2-oxo-4…

    Find On: PubMed — Wikipedia — Google

    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) 4.55 3.4 -45.55 0 5 -1 80 351.378 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-methyl-2-(2-oxo-4-phenyl-chromen-7-yl)oxy-propanoic 2-methyl-2-(2-oxo-4-phenyl-chrom…

    Find On: PubMed — Wikipedia — Google

    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) 3.83 2.84 -45.22 0 5 -1 80 323.324 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-(2-oxo-4-phenyl-chromen-7-yl)oxybutanoic 4-(2-oxo-4-phenyl-chromen-7-yl)o…

    Find On: PubMed — Wikipedia — Google

    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) 3.56 2.32 -52.01 0 5 -1 80 323.324 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 8-acetyl-6-chloro-7-hydroxy-4-phenyl-chromen-2-one 8-acetyl-6-chloro-7-hydroxy-4-ph…

    Find On: PubMed — Wikipedia — Google

    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) 3.93 7.73 -10.84 1 4 0 68 314.724 2 ↓

    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

    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) 4.05 4.28 -17.33 0 6 0 74 354.358 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

    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) 4.05 4.28 -13.36 0 6 0 74 354.358 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 6-(tert-butoxycarbonylamino)hexanoic-acid-(2-keto-8-methyl-4-phenyl-chromen-7-yl)-ester 6-(tert-butoxycarbonylamino)hexa…

    Find On: PubMed — Wikipedia — Google

    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) 5.80 3.14 -16.7 1 7 0 94 465.546 11 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S,3R)-2-(tert-butoxycarbonylamino)-3-methyl-valeric-acid-(6-chloro-2-keto-4-phenyl-chromen-7-yl)-e (2S,3R)-2-(tert-butoxycarbonylam…

    Find On: PubMed — Wikipedia — Google

    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) 7.89 14.07 -9.58 1 7 0 95 485.964 9 ↓

    Analogs

    8740018
    8740018

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-(tert-butoxycarbonylamino)-4-(methylthio)butyric-acid-[2-keto-4-(4-methoxyphenyl)chromen-7-yl (2S)-2-(tert-butoxycarbonylamino…

    Find On: PubMed — Wikipedia — Google

    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) 6.51 12.49 -14.07 1 8 0 104 499.585 11 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-(tert-butoxycarbonylamino)butyric-acid-[2-keto-4-(4-methoxyphenyl)-8-methyl-chromen-7-yl]-est (2S)-2-(tert-butoxycarbonylamino…

    Find On: PubMed — Wikipedia — Google

    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) 6.97 3.28 -12.43 1 8 0 104 467.518 9 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-(tert-butoxycarbonylamino)butyric-acid-[2-keto-4-(4-methoxyphenyl)-8-methyl-chromen-7-yl]-est (2R)-2-(tert-butoxycarbonylamino…

    Find On: PubMed — Wikipedia — Google

    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) 6.97 3.26 -12.8 1 8 0 104 467.518 9 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S,3R)-2-(tert-butoxycarbonylamino)-3-methyl-valeric-acid-(2-keto-8-methyl-4-phenyl-chromen-7-yl)-e (2S,3R)-2-(tert-butoxycarbonylam…

    Find On: PubMed — Wikipedia — Google

    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) 7.66 4.02 -8.95 1 7 0 94 465.546 9 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-(tert-butoxycarbonylamino)-4-(methylthio)butyric-acid-[2-keto-4-(4-methoxyphenyl)-8-methyl-ch (2S)-2-(tert-butoxycarbonylamino…

    Find On: PubMed — Wikipedia — Google

    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) 6.89 13.11 -13.41 1 8 0 104 513.612 11 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-(tert-butoxycarbonylamino)propionic-acid-[2-keto-4-(4-methoxyphenyl)-8-methyl-chromen-7-yl]-ester 3-(tert-butoxycarbonylamino)prop…

    Find On: PubMed — Wikipedia — Google

    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) 4.58 11.06 -19.2 1 8 0 104 453.491 9 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(tert-butoxycarbonylamino)acetic-acid-(2-keto-8-methyl-4-phenyl-chromen-7-yl)-ester 2-(tert-butoxycarbonylamino)acet…

    Find On: PubMed — Wikipedia — Google

    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 2.75 -12.95 1 7 0 94 409.438 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-(tert-butoxycarbonylamino)valeric-acid-(2-keto-8-methyl-4-phenyl-chromen-7-yl)-ester (2S)-2-(tert-butoxycarbonylamino…

    Find On: PubMed — Wikipedia — Google

    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) 7.48 3.43 -11.25 1 7 0 94 451.519 9 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-(tert-butoxycarbonylamino)valeric-acid-(2-keto-8-methyl-4-phenyl-chromen-7-yl)-ester (2R)-2-(tert-butoxycarbonylamino…

    Find On: PubMed — Wikipedia — Google

    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) 7.48 3.41 -11.56 1 7 0 94 451.519 9 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-(tert-butoxycarbonylamino)valeric-acid-(2-keto-4-phenyl-chromen-7-yl)-ester (2S)-2-(tert-butoxycarbonylamino…

    Find On: PubMed — Wikipedia — Google

    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) 7.10 12.7 -13.01 1 7 0 95 437.492 9 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-(tert-butoxycarbonylamino)valeric-acid-(2-keto-4-phenyl-chromen-7-yl)-ester (2R)-2-(tert-butoxycarbonylamino…

    Find On: PubMed — Wikipedia — Google

    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) 7.10 12.71 -12.03 1 7 0 95 437.492 9 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(2-keto-4-phenyl-chromen-7-yl)oxy-N-(3-methoxypropyl)acetamide 2-(2-keto-4-phenyl-chromen-7-yl)…

    Find On: PubMed — Wikipedia — Google

    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) 3.13 9.06 -20.32 1 6 0 78 367.401 8 ↓

    Analogs

    2149003
    2149003

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-(tert-butoxycarbonylamino)butyric-acid-(2-keto-8-methyl-4-phenyl-chromen-7-yl)-ester (2S)-2-(tert-butoxycarbonylamino…

    Find On: PubMed — Wikipedia — Google

    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) 6.92 12.57 -11.37 1 7 0 95 437.492 8 ↓

    Analogs

    2149003
    2149003

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-(tert-butoxycarbonylamino)butyric-acid-(2-keto-8-methyl-4-phenyl-chromen-7-yl)-ester (2R)-2-(tert-butoxycarbonylamino…

    Find On: PubMed — Wikipedia — Google

    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) 6.92 3.23 -11.66 1 7 0 94 437.492 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-(tert-butoxycarbonylamino)propionic-acid-(2-keto-4-phenyl-chromen-7-yl)-ester 3-(tert-butoxycarbonylamino)prop…

    Find On: PubMed — Wikipedia — Google

    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) 4.15 2.45 -18.81 1 7 0 94 409.438 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-(tert-butoxycarbonylamino)propionic-acid-[2-keto-4-(4-methoxyphenyl)-8-methyl-chromen-7-yl]-e (2S)-2-(tert-butoxycarbonylamino…

    Find On: PubMed — Wikipedia — Google

    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) 6.44 11.36 -12.99 1 8 0 104 453.491 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-(tert-butoxycarbonylamino)-4-(methylthio)butyric-acid-(2-keto-8-methyl-4-phenyl-chromen-7-yl) (2S)-2-(tert-butoxycarbonylamino…

    Find On: PubMed — Wikipedia — Google

    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) 6.83 2.84 -12.3 1 7 0 94 483.586 10 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-(tert-butoxycarbonylamino)-4-methyl-valeric-acid-(2-keto-8-methyl-4-phenyl-chromen-7-yl)-este (2S)-2-(tert-butoxycarbonylamino…

    Find On: PubMed — Wikipedia — Google

    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) 7.69 3.98 -12.47 1 7 0 94 465.546 9 ↓

    Analogs

    1927099
    1927099

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(6-chloro-2-keto-4-phenyl-chromen-7-yl)oxyacetic-acid-propyl-ester 2-(6-chloro-2-keto-4-phenyl-chro…

    Find On: PubMed — Wikipedia — Google

    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) 5.12 3.91 -12.08 0 5 0 65 372.804 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-(4-bromophenyl)-7-(diethylamino)-2-oxo-chromene-3-carbonitrile 4-(4-bromophenyl)-7-(diethylamin…

    Find On: PubMed — Wikipedia — Google

    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) 5.06 12.61 -11.07 0 4 0 57 397.272 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 7-(diethylamino)-4-(4-fluorophenyl)-2-oxo-chromene-3-carbonitrile 7-(diethylamino)-4-(4-fluorophen…

    Find On: PubMed — Wikipedia — Google

    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) 4.41 12.05 -11.55 0 4 0 57 336.366 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-(4-chlorophenyl)-7-(diethylamino)-2-oxo-chromene-3-carbonitrile 4-(4-chlorophenyl)-7-(diethylami…

    Find On: PubMed — Wikipedia — Google

    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) 4.93 12.51 -11.17 0 4 0 57 352.821 4 ↓

    Parameters Provided:

    ring.id = 4876
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 = 4876 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

    Permalink

    //zinc12.docking.org/results/combination?ring.id=4876&filter.purchasability=annotated

    Embed Link to Results

  • Notice: Undefined index: synonym
    file: /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php
    line: 245
  • Notice: Undefined index: field_name
    file: /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php
    line: 244
  • Notice: Undefined index: synonym
    file: /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php
    line: 245