Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_r9luffb9i40qs7ufhhlnupctj5, 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
    • 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: 3-(aminomethyl)-N-(3-methoxypropyl)-N-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine 3-(aminomethyl)-N-(3-methoxyprop…

    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) 1.41 5.47 -100.22 4 4 2 54 251.374 6 ↓
    Hi High (pH 8-9.5) 1.41 4.68 -7.43 2 4 0 51 249.358 6 ↓
    Hi High (pH 8-9.5) 1.41 5.15 -22.84 3 4 1 53 250.366 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N'-hydroxy-2-[3-methoxypropyl(methyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamidine N'-hydroxy-2-[3-methoxypropyl(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) 0.54 5.09 -27.8 4 6 1 85 279.364 6 ↓
    Mid Mid (pH 6-8) 0.54 4.66 -9.23 3 6 0 84 278.356 6 ↓
    Lo Low (pH 4.5-6) 0.54 4.15 -86.95 5 6 2 87 280.372 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[3-methoxypropyl(methyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamidine 2-[3-methoxypropyl(methyl)amino]…

    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) 0.61 4.72 -37.25 4 5 1 77 263.365 6 ↓
    Hi High (pH 8-9.5) 0.61 5.7 -8.37 3 5 0 75 262.357 6 ↓
    Lo Low (pH 4.5-6) 0.61 5.17 -88.32 5 5 2 78 264.373 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[(3-methylisoxazol-5-yl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile 2-[(3-methylisoxazol-5-yl)methyl…

    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) 1.82 6.51 -9.8 1 5 0 75 254.293 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[3-methoxypropyl(methyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic 2-[3-methoxypropyl(methyl)amino]…

    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) 1.80 8.34 -36.63 1 5 0 67 264.325 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[3-methoxypropyl(methyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide 2-[3-methoxypropyl(methyl)amino]…

    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) 2.02 6.76 -32.62 3 4 1 53 280.417 6 ↓
    Mid Mid (pH 6-8) 2.02 6.34 -12.4 2 4 0 51 279.409 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(4-propyl-1-piperidyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile 2-(4-propyl-1-piperidyl)-6,7-dih…

    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) 4.12 10.61 -5.63 0 3 0 40 269.392 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(4-propyl-1-piperidyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide 2-(4-propyl-1-piperidyl)-6,7-dih…

    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) 4.16 9.83 -32.18 3 3 1 43 304.483 4 ↓
    Mid Mid (pH 6-8) 4.16 9.4 -10.56 2 3 0 42 303.475 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-hydrazino-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile 2-hydrazino-6,7-dihydro-5H-cyclo…

    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) 0.86 3.62 -6.36 3 4 0 75 174.207 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [2-(3-cyclopropylpyrazol-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methanamine [2-(3-cyclopropylpyrazol-1-yl)-6…

    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) 1.78 7.55 -37.74 3 4 1 58 255.345 3 ↓
    Mid Mid (pH 6-8) 1.78 7.15 -7.41 2 4 0 57 254.337 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [2-(3-methylpyrazol-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methanamine [2-(3-methylpyrazol-1-yl)-6,7-di…

    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) 1.42 6.05 -38.38 3 4 1 58 229.307 2 ↓
    Mid Mid (pH 6-8) 1.42 5.58 -8.64 2 4 0 57 228.299 2 ↓

    Analogs

    43405015
    43405015
    43405055
    43405055
    43405262
    43405262
    43405374
    43405374

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)methanamine (2-piperazin-1-yl-6,7-dihydro-5H…

    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) 0.45 3.86 -108.38 5 4 2 60 234.347 2 ↓
    Hi High (pH 8-9.5) 0.45 2.54 -46.94 4 4 1 56 233.339 2 ↓
    Mid Mid (pH 6-8) 0.45 4.29 -188.28 6 4 3 62 235.355 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [2-(3-isopropylpyrazol-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methanamine [2-(3-isopropylpyrazol-1-yl)-6,7…

    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) 2.48 7.32 -38.05 3 4 1 58 257.361 3 ↓
    Mid Mid (pH 6-8) 2.48 6.93 -7.17 2 4 0 57 256.353 3 ↓

    Analogs

    43405602
    43405602
    43405610
    43405610
    43405620
    43405620
    43405630
    43405630
    43405634
    43405634

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(3-methylpyrazol-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile 2-(3-methylpyrazol-1-yl)-6,7-dih…

    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) 1.99 7.8 -11.5 0 4 0 55 224.267 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(3-cyclopropylpyrazol-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile 2-(3-cyclopropylpyrazol-1-yl)-6,…

    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) 2.35 9.29 -11.66 0 4 0 55 250.305 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(3-isopropylpyrazol-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile 2-(3-isopropylpyrazol-1-yl)-6,7-…

    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) 3.04 9.06 -11.41 0 4 0 55 252.321 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(3-methylpyrazol-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide 2-(3-methylpyrazol-1-yl)-6,7-dih…

    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) 2.03 6.64 -18.04 2 4 0 57 258.35 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(3-cyclopropylpyrazol-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide 2-(3-cyclopropylpyrazol-1-yl)-6,…

    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) 2.40 8.21 -17.93 2 4 0 57 284.388 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(3-isopropylpyrazol-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide 2-(3-isopropylpyrazol-1-yl)-6,7-…

    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) 3.09 7.99 -17.4 2 4 0 57 286.404 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N'-hydroxy-2-(3-methylpyrazol-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamidine N'-hydroxy-2-(3-methylpyrazol-1-…

    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) 0.55 4.91 -13.33 3 6 0 89 257.297 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(3-cyclopropylpyrazol-1-yl)-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamidine 2-(3-cyclopropylpyrazol-1-yl)-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) 0.91 5.46 -10.42 3 6 0 89 283.335 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N'-hydroxy-2-(3-isopropylpyrazol-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamidine N'-hydroxy-2-(3-isopropylpyrazol…

    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) 1.60 6.18 -12.92 3 6 0 89 285.351 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(3-methylpyrazol-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamidine 2-(3-methylpyrazol-1-yl)-6,7-dih…

    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) 0.62 5.03 -29.63 4 5 1 82 242.306 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(3-cyclopropylpyrazol-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamidine 2-(3-cyclopropylpyrazol-1-yl)-6,…

    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) 0.98 6.52 -29.19 4 5 1 82 268.344 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(3-isopropylpyrazol-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamidine 2-(3-isopropylpyrazol-1-yl)-6,7-…

    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) 1.68 6.3 -29.34 4 5 1 82 270.36 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[(3-aminophenyl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile 2-[(3-aminophenyl)methylamino]-6…

    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) 1.93 6.62 -6.69 3 4 0 75 264.332 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[(3-aminophenyl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide 2-[(3-aminophenyl)methylamino]-6…

    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) 0.99 3.37 -11.19 5 5 0 94 282.347 4 ↓
    Mid Mid (pH 6-8) 0.99 3.7 -31.08 6 5 1 95 283.355 4 ↓

    Analogs

    39326200
    39326200
    39326202
    39326202
    43405678
    43405678
    43405684
    43405684
    43406100
    43406100

    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) 2.86 7.47 -6.76 0 2 0 37 216.309 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[2-[(3-cyano-2-methyl-5-azabicyclo[4.3.0]nona-2,4,10-trien-4-yl)sulfanyl]acetyl]amino-4,5,6,7-tetr 2-[2-[(3-cyano-2-methyl-5-azabic…

    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 -3.76 -16.45 3 6 0 109 426.567 5 ↓

    Analogs

    43405699
    43405699
    43405792
    43405792

    Draw Identity 99% 90% 80% 70%

    Popular Name: [2-(4-propylphenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methanamine [2-(4-propylphenoxy)-6,7-dihydro…

    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) 4.11 6.97 -44.23 3 3 1 50 283.395 5 ↓
    Mid Mid (pH 6-8) 4.11 6.57 -6.56 2 3 0 48 282.387 5 ↓

    Analogs

    43407413
    43407413
    43407481
    43407481
    43407497
    43407497
    43407540
    43407540

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(4-propylphenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile 2-(4-propylphenoxy)-6,7-dihydro-…

    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) 4.68 9.3 -8.64 0 3 0 46 278.355 4 ↓

    Analogs

    11817344
    11817344

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-chloro-N-[(1R)-1-[5-methyl-1-(2-pyridyl)pyrazol-4-yl]ethyl]-6,7-dihydro-5H-cyclopenta[e]pyridine-3 2-chloro-N-[(1R)-1-[5-methyl-1-(…

    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) 3.09 -0.41 -16.71 1 6 0 73 381.867 4 ↓
    Lo Low (pH 4.5-6) 3.09 -0.34 -44.4 2 6 1 74 382.875 4 ↓

    Analogs

    11817343
    11817343

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-chloro-N-[(1S)-1-[5-methyl-1-(2-pyridyl)pyrazol-4-yl]ethyl]-6,7-dihydro-5H-cyclopenta[e]pyridine-3 2-chloro-N-[(1S)-1-[5-methyl-1-(…

    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) 3.09 -0.38 -16.81 1 6 0 73 381.867 4 ↓
    Lo Low (pH 4.5-6) 3.09 -0.31 -44.15 2 6 1 74 382.875 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (7R)-N-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine (7R)-N-[4-(3,3,3-trifluoropropyl…

    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 8.88 -10.18 1 4 0 51 308.307 5 ↓
    Mid Mid (pH 6-8) 3.29 9.38 -30.46 2 4 1 52 309.315 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (7S)-N-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine (7S)-N-[4-(3,3,3-trifluoropropyl…

    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 8.88 -9.93 1 4 0 51 308.307 5 ↓
    Mid Mid (pH 6-8) 3.29 9.23 -29.88 2 4 1 52 309.315 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: methyl 2-amino-5H,6H,7H-cyclopenta[b]pyridine-3-carboxylate methyl 2-amino-5H,6H,7H-cyclopen…

    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) 1.18 4.22 -6.36 2 4 0 65 192.218 2 ↓
    Mid Mid (pH 6-8) 1.18 4.65 -27.15 3 4 1 66 193.226 2 ↓

    Analogs

    39324030
    39324030
    39324031
    39324031
    39324032
    39324032
    39324033
    39324033

    Draw Identity 99% 90% 80% 70%

    Popular Name: methyl methyl

    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) 2.46 7.48 -10.4 0 4 0 63 262.334 4 ↓
    Lo Low (pH 4.5-6) 2.46 7.69 -39.24 1 4 1 64 263.342 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(cyanomethylsulfanyl)-4-methyl-6,7-dihydro-5H-cyclopenta[e]pyridine-3-carbonitrile 2-(cyanomethylsulfanyl)-4-methyl…

    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) 2.38 7.19 -9.69 0 3 0 60 229.308 2 ↓
    Lo Low (pH 4.5-6) 2.38 7.4 -44.4 1 3 1 62 230.316 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[4-[[2-[(3-cyano-6,7-dihydro-5H-cyclopenta[e]pyridin-2-yl)sulfanyl]acetyl]amino]phenyl]quinoline-4 2-[4-[[2-[(3-cyano-6,7-dihydro-5…

    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) 4.72 12.67 -64.66 1 7 -1 119 479.541 6 ↓
    Lo Low (pH 4.5-6) 4.72 12.99 -46.7 2 7 0 120 480.549 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[2-[1-(3-methoxypropyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl]sulfanyl-4-methyl-6,7-dihydro-5H-cyc 2-[2-[1-(3-methoxypropyl)-2,5-di…

    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) 3.35 11.8 -15.02 0 5 0 68 397.544 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]sulfanyl-4-methyl-6,7-dihydro-5H-cyclopent 2-[2-(1-cyclopropyl-2,5-dimethyl…

    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) 3.46 12.54 -13.96 0 4 0 59 365.502 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[4-[[(2R)-2-[(3-cyano-6,7-dihydro-5H-cyclopenta[e]pyridin-2-yl)sulfanyl]propanoyl]amino]phenyl]qui 2-[4-[[(2R)-2-[(3-cyano-6,7-dihy…

    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) 5.08 13.62 -59.91 1 7 -1 119 493.568 6 ↓
    Lo Low (pH 4.5-6) 5.08 13.93 -54.58 2 7 0 120 494.576 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[4-[[(2S)-2-[(3-cyano-6,7-dihydro-5H-cyclopenta[e]pyridin-2-yl)sulfanyl]propanoyl]amino]phenyl]qui 2-[4-[[(2S)-2-[(3-cyano-6,7-dihy…

    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) 5.08 13.62 -59.73 1 7 -1 119 493.568 6 ↓
    Lo Low (pH 4.5-6) 5.08 13.93 -55.61 2 7 0 120 494.576 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[2-aminoethyl(methyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile 2-[2-aminoethyl(methyl)amino]-6,…

    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) 0.53 4.94 -43.59 3 4 1 68 217.296 3 ↓
    Hi High (pH 8-9.5) 0.53 4.55 -6.65 2 4 0 66 216.288 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[2-aminoethyl(methyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide 2-[2-aminoethyl(methyl)amino]-6,…

    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) -0.41 1.84 -41.85 5 5 1 87 235.311 4 ↓
    Hi High (pH 8-9.5) -0.41 1.45 -10.54 4 5 0 85 234.303 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[(1S,3R)-3-methylcyclohexyl]sulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile 2-[(1S,3R)-3-methylcyclohexyl]su…

    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) 4.13 10.41 -6.19 0 2 0 37 272.417 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[(1S,3S)-3-methylcyclohexyl]sulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile 2-[(1S,3S)-3-methylcyclohexyl]su…

    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) 4.13 10.18 -6.15 0 2 0 37 272.417 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[(1R,3R)-3-methylcyclohexyl]sulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile 2-[(1R,3R)-3-methylcyclohexyl]su…

    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) 4.13 10.18 -6.2 0 2 0 37 272.417 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[(1R,3S)-3-methylcyclohexyl]sulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile 2-[(1R,3S)-3-methylcyclohexyl]su…

    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) 4.13 10.41 -6.19 0 2 0 37 272.417 2 ↓

    Analogs

    43408180
    43408180

    Draw Identity 99% 90% 80% 70%

    Popular Name: N'-hydroxy-2-[(1S,3R)-3-methylcyclohexyl]sulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamidi N'-hydroxy-2-[(1S,3R)-3-methylcy…

    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) 2.69 7.19 -7.98 3 4 0 72 305.447 3 ↓

    Parameters Provided:

    ring.id = 13213
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 = 13213 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

    Permalink

    //zinc12.docking.org/results/combination?ring.id=13213&filter.purchasability=annotated

    Embed Link to Results

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