• 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: 2-(4-bromo-2-fluoro-phenoxy)-N-[(2R)-2-dimethylamino-3-phenyl-propyl]acetamide 2-(4-bromo-2-fluoro-phenoxy)-N-[…

    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) 3.82 11.1 -52.21 2 4 1 43 410.307 8 ↓
    Hi High (pH 8-9.5) 3.82 8.09 -14.02 1 4 0 42 409.299 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(4-bromo-2-fluoro-phenoxy)-N-[(2S)-2-dimethylamino-3-phenyl-propyl]acetamide 2-(4-bromo-2-fluoro-phenoxy)-N-[…

    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) 3.82 11.12 -52.29 2 4 1 43 410.307 8 ↓
    Hi High (pH 8-9.5) 3.82 8.31 -15.7 1 4 0 42 409.299 8 ↓

    Analogs

    13014061
    13014061

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-[2-[2-[[(1S)-1-methyl-3-phenyl-propyl]amino]-2-oxo-ethoxy]phenyl]propanoic 3-[2-[2-[[(1S)-1-methyl-3-phenyl…

    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) 3.65 11 -66.36 1 5 -1 78 354.426 10 ↓

    Analogs

    13014058
    13014058

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-[2-[2-[[(1R)-1-methyl-3-phenyl-propyl]amino]-2-oxo-ethoxy]phenyl]propanoic 3-[2-[2-[[(1R)-1-methyl-3-phenyl…

    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) 3.65 11 -66.29 1 5 -1 78 354.426 10 ↓

    Analogs

    13014604
    13014604

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2,3,5-trichloro-6-[2-[[(1S)-1-methyl-3-phenyl-propyl]amino]-2-oxo-ethoxy]benzoic 2,3,5-trichloro-6-[2-[[(1S)-1-me…

    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) 5.14 11.02 -55.88 1 5 -1 78 429.707 8 ↓

    Analogs

    13014601
    13014601

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2,3,5-trichloro-6-[2-[[(1R)-1-methyl-3-phenyl-propyl]amino]-2-oxo-ethoxy]benzoic 2,3,5-trichloro-6-[2-[[(1R)-1-me…

    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) 5.14 11.02 -55.48 1 5 -1 78 429.707 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(2,5-dichlorophenoxy)-N-(3-phenylpropyl)acetamide 2-(2,5-dichlorophenoxy)-N-(3-phe…

    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) 4.71 9.8 -12.05 1 3 0 38 338.234 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(4-tert-butylphenoxy)-N-[3-(4-dimethylaminophenyl)propyl]acetamide 2-(4-tert-butylphenoxy)-N-[3-(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) 5.23 11.53 -14.52 1 4 0 42 368.521 9 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[3-(4-dimethylaminophenyl)propyl]-2-(2-methylphenoxy)acetamide N-[3-(4-dimethylaminophenyl)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) 3.93 9.92 -14.79 1 4 0 42 326.44 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[3-(4-dimethylaminophenyl)propyl]-2-(4-methylphenoxy)acetamide N-[3-(4-dimethylaminophenyl)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) 3.97 9.87 -14.96 1 4 0 42 326.44 8 ↓

    Analogs

    32129992
    32129992

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[3-(4-dimethylaminophenyl)propyl]-2-(3-methoxyphenoxy)acetamide N-[3-(4-dimethylaminophenyl)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) 3.56 8.43 -17.65 1 5 0 51 342.439 9 ↓

    Analogs

    11693633
    11693633

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[3-(4-dimethylaminophenyl)propyl]-2-(4-methoxyphenoxy)acetamide N-[3-(4-dimethylaminophenyl)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) 3.58 8.42 -16.01 1 5 0 51 342.439 9 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(4-allyl-2-methoxy-phenoxy)-N-[(1S)-1-methyl-3-phenyl-propyl]acetamide 2-(4-allyl-2-methoxy-phenoxy)-N-…

    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) 4.17 11.51 -17.56 1 4 0 48 353.462 10 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(4-allyl-2-methoxy-phenoxy)-N-[(1R)-1-methyl-3-phenyl-propyl]acetamide 2-(4-allyl-2-methoxy-phenoxy)-N-…

    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) 4.17 11.51 -17.57 1 4 0 48 353.462 10 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-methoxy-4-[2-[[(1S)-1-methyl-3-phenyl-propyl]amino]-2-oxo-ethoxy]benzoic 3-methoxy-4-[2-[[(1S)-1-methyl-3…

    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) 3.25 9.13 -57.79 1 6 -1 88 356.398 9 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-methoxy-4-[2-[[(1R)-1-methyl-3-phenyl-propyl]amino]-2-oxo-ethoxy]benzoic 3-methoxy-4-[2-[[(1R)-1-methyl-3…

    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) 3.25 9.13 -57.79 1 6 -1 88 356.398 9 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[4-[2-[[(1S)-1-methyl-3-phenyl-propyl]amino]-2-oxo-ethoxy]phenyl]acetic 2-[4-[2-[[(1S)-1-methyl-3-phenyl…

    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) 3.18 10.17 -54.82 1 5 -1 78 340.399 9 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[4-[2-[[(1R)-1-methyl-3-phenyl-propyl]amino]-2-oxo-ethoxy]phenyl]acetic 2-[4-[2-[[(1R)-1-methyl-3-phenyl…

    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) 3.18 10.17 -54.85 1 5 -1 78 340.399 9 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-[2-[[(1S)-1-methyl-3-phenyl-propyl]amino]-2-oxo-ethoxy]benzene-1,3-dicarboxylic 4-[2-[[(1S)-1-methyl-3-phenyl-pr…

    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) 3.58 9.5 -130.99 1 7 -2 119 369.373 9 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-[2-[[(1R)-1-methyl-3-phenyl-propyl]amino]-2-oxo-ethoxy]benzene-1,3-dicarboxylic 4-[2-[[(1R)-1-methyl-3-phenyl-pr…

    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) 3.58 11.34 -129.51 1 7 -2 119 369.373 9 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3,5-dichloro-4-[2-[[(1S)-1-methyl-3-phenyl-propyl]amino]-2-oxo-ethoxy]benzoic 3,5-dichloro-4-[2-[[(1S)-1-methy…

    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) 4.88 10.57 -47.45 1 5 -1 78 395.262 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3,5-dichloro-4-[2-[[(1R)-1-methyl-3-phenyl-propyl]amino]-2-oxo-ethoxy]benzoic 3,5-dichloro-4-[2-[[(1R)-1-methy…

    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) 4.88 10.57 -47.5 1 5 -1 78 395.262 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-(4-methoxyphenoxy)-N-[3-(p-tolyl)propyl]butanamide (2R)-2-(4-methoxyphenoxy)-N-[3-(…

    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) 4.79 9.89 -12.59 1 4 0 48 341.451 9 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-(4-methoxyphenoxy)-N-[3-(p-tolyl)propyl]butanamide (2S)-2-(4-methoxyphenoxy)-N-[3-(…

    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) 4.79 9.88 -12.5 1 4 0 48 341.451 9 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-(4-tert-butylphenoxy)-N-[3-(p-tolyl)propyl]propanamide (2R)-2-(4-tert-butylphenoxy)-N-[…

    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) 5.94 12.32 -11.68 1 3 0 38 353.506 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-(4-tert-butylphenoxy)-N-[3-(p-tolyl)propyl]propanamide (2S)-2-(4-tert-butylphenoxy)-N-[…

    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) 5.94 12.37 -11.77 1 3 0 38 353.506 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(4-chlorophenoxy)-N-[3-(p-tolyl)propyl]acetamide 2-(4-chlorophenoxy)-N-[3-(p-toly…

    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 9.94 -11.81 1 3 0 38 317.816 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-(4-chloro-3,5-dimethyl-phenoxy)-N-[3-(2-ethoxyphenyl)propyl]propanamide (2R)-2-(4-chloro-3,5-dimethyl-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) 5.60 11.29 -12.62 1 4 0 48 389.923 9 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-(4-chloro-3,5-dimethyl-phenoxy)-N-[3-(2-ethoxyphenyl)propyl]propanamide (2S)-2-(4-chloro-3,5-dimethyl-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) 5.60 11.29 -12.52 1 4 0 48 389.923 9 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(3,5-dimethylphenoxy)-N-[3-(2-ethoxyphenyl)propyl]acetamide 2-(3,5-dimethylphenoxy)-N-[3-(2-…

    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) 4.63 10.36 -13.29 1 4 0 48 341.451 9 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-(4-tert-butylphenoxy)-N-[3-(2-ethoxyphenyl)propyl]propanamide (2R)-2-(4-tert-butylphenoxy)-N-[…

    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) 5.88 11.93 -12.58 1 4 0 48 383.532 10 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-(4-tert-butylphenoxy)-N-[3-(2-ethoxyphenyl)propyl]propanamide (2S)-2-(4-tert-butylphenoxy)-N-[…

    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) 5.88 11.96 -12.5 1 4 0 48 383.532 10 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(2-methylphenoxy)-N-[3-(p-tolyl)propyl]acetamide 2-(2-methylphenoxy)-N-[3-(p-toly…

    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) 4.27 10.13 -12.04 1 3 0 38 297.398 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(4-methoxyphenoxy)-N-[3-(m-tolyl)propyl]acetamide 2-(4-methoxyphenoxy)-N-[3-(m-tol…

    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) 3.90 8.69 -13.42 1 4 0 48 313.397 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[3-(2-ethoxyphenyl)propyl]-2-(2-methylphenoxy)acetamide N-[3-(2-ethoxyphenyl)propyl]-2-(…

    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) 4.21 9.74 -12.94 1 4 0 48 327.424 9 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-N-[3-(2-ethoxyphenyl)propyl]-2-(4-methoxyphenoxy)butanamide (2R)-N-[3-(2-ethoxyphenyl)propyl…

    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) 4.73 9.49 -13.43 1 5 0 57 371.477 11 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-N-[3-(2-ethoxyphenyl)propyl]-2-(4-methoxyphenoxy)butanamide (2S)-N-[3-(2-ethoxyphenyl)propyl…

    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) 4.73 9.48 -13.31 1 5 0 57 371.477 11 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-(4-chlorophenoxy)-N-[3-(p-tolyl)propyl]propanamide (2R)-2-(4-chlorophenoxy)-N-[3-(p…

    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) 4.91 10.52 -11.52 1 3 0 38 331.843 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-(4-chlorophenoxy)-N-[3-(p-tolyl)propyl]propanamide (2S)-2-(4-chlorophenoxy)-N-[3-(p…

    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) 4.91 10.56 -11.48 1 3 0 38 331.843 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-(4-tert-butylphenoxy)-N-(3-phenylpropyl)propanamide (2R)-2-(4-tert-butylphenoxy)-N-(…

    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) 5.49 11.64 -11.66 1 3 0 38 339.479 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-(4-tert-butylphenoxy)-N-(3-phenylpropyl)propanamide (2S)-2-(4-tert-butylphenoxy)-N-(…

    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) 5.49 11.64 -11.67 1 3 0 38 339.479 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[4-[(methyl-methylsulfonyl-amino)methyl]phenoxy]-N-(3-phenylpropyl)acetamide 2-[4-[(methyl-methylsulfonyl-ami…

    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) 2.60 7.52 -20.18 1 6 0 76 390.505 10 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-(4-tert-butylphenoxy)-N-[3-(m-tolyl)propyl]propanamide (2R)-2-(4-tert-butylphenoxy)-N-[…

    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) 5.92 12.31 -11.68 1 3 0 38 353.506 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-(4-tert-butylphenoxy)-N-[3-(m-tolyl)propyl]propanamide (2S)-2-(4-tert-butylphenoxy)-N-[…

    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) 5.92 12.36 -11.7 1 3 0 38 353.506 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-(3-methylphenoxy)-N-[3-(m-tolyl)propyl]propanamide (2R)-2-(3-methylphenoxy)-N-[3-(m…

    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) 4.64 10.66 -12.23 1 3 0 38 311.425 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-(3-methylphenoxy)-N-[3-(m-tolyl)propyl]propanamide (2S)-2-(3-methylphenoxy)-N-[3-(m…

    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) 4.64 10.66 -12.21 1 3 0 38 311.425 7 ↓

    Analogs

    14229175
    14229175

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-methoxy-2-[2-[[(1S)-1-methyl-3-phenyl-propyl]amino]-2-oxo-ethoxy]benzamide 4-methoxy-2-[2-[[(1S)-1-methyl-3…

    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) 3.10 6.86 -22.8 3 6 0 91 356.422 9 ↓

    Analogs

    14229172
    14229172

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-methoxy-2-[2-[[(1R)-1-methyl-3-phenyl-propyl]amino]-2-oxo-ethoxy]benzamide 4-methoxy-2-[2-[[(1R)-1-methyl-3…

    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) 3.10 6.86 -22.85 3 6 0 91 356.422 9 ↓

    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) 4.71 -0.31 -13.65 1 3 0 38 338.234 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-(3,4-difluorophenoxy)-N-[(1S)-1-methyl-3-phenyl-propyl]propanamide (2R)-2-(3,4-difluorophenoxy)-N-[…

    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) 4.37 10.43 -11.57 1 3 0 38 333.378 7 ↓

    Parameters Provided:

    ring.id = 55354
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 = 55354 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

    Permalink

    //zinc12.docking.org/results/combination?ring.id=55354&filter.purchasability=annotated

    Embed Link to Results

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