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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-dimethyl-1-(2-phenoxyethyl)-3,4-dihydro-2H-quinoline-6-carboxamide N,N-dimethyl-1-(2-phenoxyethyl)-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.17 9.47 -12.5 0 4 0 33 324.424 5 ↓

Analogs

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Popular Name: (2R,4S)-1-[2-(4-cyanophenoxy)ethyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide (2R,4S)-1-[2-(4-cyanophenoxy)eth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.59 6.98 -14.37 2 5 0 79 335.407 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-1-[2-(4-cyanophenoxy)ethyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide (2S,4S)-1-[2-(4-cyanophenoxy)eth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.59 7.27 -14.29 2 5 0 79 335.407 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-1-[2-(4-cyanophenoxy)ethyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide (2R,4R)-1-[2-(4-cyanophenoxy)eth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.59 7.4 -13.84 2 5 0 79 335.407 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-1-[2-(4-cyanophenoxy)ethyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide (2S,4R)-1-[2-(4-cyanophenoxy)eth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.59 7.3 -13.95 2 5 0 79 335.407 5 ↓

Analogs

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Popular Name: 1-[2-(2-methylphenoxy)ethyl]-3,4-dihydro-2H-quinolin-6-amine 1-[2-(2-methylphenoxy)ethyl]-3,4…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.68 8.23 -5.58 2 3 0 38 282.387 4 ↓
Lo Low (pH 4.5-6) 3.68 8.08 -43.07 3 3 1 40 283.395 4 ↓
Lo Low (pH 4.5-6) 3.68 8.66 -31.18 3 3 1 40 283.395 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(2-chlorophenoxy)ethyl]-3,4-dihydro-2H-quinolin-6-amine 1-[2-(2-chlorophenoxy)ethyl]-3,4…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.91 8.03 -6.28 2 3 0 38 302.805 4 ↓
Lo Low (pH 4.5-6) 3.91 8.47 -31.49 3 3 1 40 303.813 4 ↓
Lo Low (pH 4.5-6) 3.91 7.89 -44.46 3 3 1 40 303.813 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(3-chlorophenoxy)ethyl]-3,4-dihydro-2H-quinolin-6-amine 1-[2-(3-chlorophenoxy)ethyl]-3,4…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.94 7.99 -5.44 2 3 0 38 302.805 4 ↓
Lo Low (pH 4.5-6) 3.94 8.44 -31.94 3 3 1 40 303.813 4 ↓
Lo Low (pH 4.5-6) 3.94 7.85 -42.64 3 3 1 40 303.813 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(4-chlorophenoxy)ethyl]-3,4-dihydro-2H-quinolin-6-amine 1-[2-(4-chlorophenoxy)ethyl]-3,4…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.96 7.99 -5.21 2 3 0 38 302.805 4 ↓
Lo Low (pH 4.5-6) 3.96 8.43 -33.65 3 3 1 40 303.813 4 ↓
Lo Low (pH 4.5-6) 3.96 7.85 -43.55 3 3 1 40 303.813 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(4-methylphenoxy)ethyl]-3,4-dihydro-2H-quinolin-6-amine 1-[2-(4-methylphenoxy)ethyl]-3,4…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.73 8.15 -5.64 2 3 0 38 282.387 4 ↓
Lo Low (pH 4.5-6) 3.73 8.01 -43.22 3 3 1 40 283.395 4 ↓
Lo Low (pH 4.5-6) 3.73 8.59 -30.64 3 3 1 40 283.395 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(3-methylphenoxy)ethyl]-3,4-dihydro-2H-quinolin-6-amine 1-[2-(3-methylphenoxy)ethyl]-3,4…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.71 8.15 -5.8 2 3 0 38 282.387 4 ↓
Lo Low (pH 4.5-6) 3.71 8.01 -43.34 3 3 1 40 283.395 4 ↓
Lo Low (pH 4.5-6) 3.71 8.8 -31.5 3 3 1 40 283.395 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(4-fluorophenoxy)ethyl]-3,4-dihydro-2H-quinolin-6-amine 1-[2-(4-fluorophenoxy)ethyl]-3,4…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.45 7.54 -5.78 2 3 0 38 286.35 4 ↓
Lo Low (pH 4.5-6) 3.45 7.98 -34.61 3 3 1 40 287.358 4 ↓
Lo Low (pH 4.5-6) 3.45 7.4 -44.18 3 3 1 40 287.358 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(2-fluorophenoxy)ethyl]-3,4-dihydro-2H-quinolin-6-amine 1-[2-(2-fluorophenoxy)ethyl]-3,4…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.40 7.55 -7.65 2 3 0 38 286.35 4 ↓
Lo Low (pH 4.5-6) 3.40 7.98 -32.18 3 3 1 40 287.358 4 ↓
Lo Low (pH 4.5-6) 3.40 7.41 -46.09 3 3 1 40 287.358 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[2-(3-bromophenoxy)ethyl]-3,4-dihydro-2H-quinolin-3-amine (3S)-1-[2-(3-bromophenoxy)ethyl]…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.36 7.45 -47.91 3 3 1 40 348.264 4 ↓
Hi High (pH 8-9.5) 3.36 7.14 -5.83 2 3 0 38 347.256 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[2-(3-bromophenoxy)ethyl]-3,4-dihydro-2H-quinolin-3-amine (3R)-1-[2-(3-bromophenoxy)ethyl]…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.36 7.55 -46.02 3 3 1 40 348.264 4 ↓
Hi High (pH 8-9.5) 3.36 7.23 -5.44 2 3 0 38 347.256 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[2-(2-methylphenoxy)ethyl]-3,4-dihydro-2H-quinolin-3-amine (3R)-1-[2-(2-methylphenoxy)ethyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.98 7.68 -48.08 3 3 1 40 283.395 4 ↓
Hi High (pH 8-9.5) 2.98 7.36 -5.1 2 3 0 38 282.387 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[2-(2-methylphenoxy)ethyl]-3,4-dihydro-2H-quinolin-3-amine (3S)-1-[2-(2-methylphenoxy)ethyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.98 7.58 -49.24 3 3 1 40 283.395 4 ↓
Hi High (pH 8-9.5) 2.98 7.27 -5.49 2 3 0 38 282.387 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[2-(2-chlorophenoxy)ethyl]-3,4-dihydro-2H-quinolin-3-amine (3S)-1-[2-(2-chlorophenoxy)ethyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.21 7.39 -45.93 3 3 1 40 303.813 4 ↓
Hi High (pH 8-9.5) 3.21 7.07 -6.45 2 3 0 38 302.805 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[2-(2-chlorophenoxy)ethyl]-3,4-dihydro-2H-quinolin-3-amine (3R)-1-[2-(2-chlorophenoxy)ethyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.21 7.49 -42.07 3 3 1 40 303.813 4 ↓
Hi High (pH 8-9.5) 3.21 7.16 -5.96 2 3 0 38 302.805 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[2-(3-chlorophenoxy)ethyl]-3,4-dihydro-2H-quinolin-3-amine (3S)-1-[2-(3-chlorophenoxy)ethyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.23 7.35 -47.94 3 3 1 40 303.813 4 ↓
Hi High (pH 8-9.5) 3.23 7.03 -5.87 2 3 0 38 302.805 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[2-(3-chlorophenoxy)ethyl]-3,4-dihydro-2H-quinolin-3-amine (3R)-1-[2-(3-chlorophenoxy)ethyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.23 7.45 -46.12 3 3 1 40 303.813 4 ↓
Hi High (pH 8-9.5) 3.23 7.12 -5.48 2 3 0 38 302.805 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[2-(4-chlorophenoxy)ethyl]-3,4-dihydro-2H-quinolin-3-amine (3S)-1-[2-(4-chlorophenoxy)ethyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.25 7.35 -49.55 3 3 1 40 303.813 4 ↓
Hi High (pH 8-9.5) 3.25 7.03 -5.23 2 3 0 38 302.805 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[2-(4-chlorophenoxy)ethyl]-3,4-dihydro-2H-quinolin-3-amine (3R)-1-[2-(4-chlorophenoxy)ethyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.25 7.45 -48.72 3 3 1 40 303.813 4 ↓
Hi High (pH 8-9.5) 3.25 7.12 -4.75 2 3 0 38 302.805 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[2-(4-methylphenoxy)ethyl]-3,4-dihydro-2H-quinolin-3-amine (3R)-1-[2-(4-methylphenoxy)ethyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.03 7.6 -46.7 3 3 1 40 283.395 4 ↓
Hi High (pH 8-9.5) 3.03 7.28 -5.25 2 3 0 38 282.387 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[2-(4-methylphenoxy)ethyl]-3,4-dihydro-2H-quinolin-3-amine (3S)-1-[2-(4-methylphenoxy)ethyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.03 7.5 -48.16 3 3 1 40 283.395 4 ↓
Hi High (pH 8-9.5) 3.03 7.19 -5.63 2 3 0 38 282.387 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[2-(3-methylphenoxy)ethyl]-3,4-dihydro-2H-quinolin-3-amine (3R)-1-[2-(3-methylphenoxy)ethyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.00 7.6 -46.83 3 3 1 40 283.395 4 ↓
Hi High (pH 8-9.5) 3.00 7.28 -5.43 2 3 0 38 282.387 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[2-(3-methylphenoxy)ethyl]-3,4-dihydro-2H-quinolin-3-amine (3S)-1-[2-(3-methylphenoxy)ethyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.00 7.5 -48.26 3 3 1 40 283.395 4 ↓
Hi High (pH 8-9.5) 3.00 7.19 -5.75 2 3 0 38 282.387 4 ↓

Analogs

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Popular Name: (3S)-1-[2-(4-fluorophenoxy)ethyl]-3,4-dihydro-2H-quinolin-3-amine (3S)-1-[2-(4-fluorophenoxy)ethyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.74 6.9 -50.43 3 3 1 40 287.358 4 ↓
Hi High (pH 8-9.5) 2.74 6.58 -5.79 2 3 0 38 286.35 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[2-(4-fluorophenoxy)ethyl]-3,4-dihydro-2H-quinolin-3-amine (3R)-1-[2-(4-fluorophenoxy)ethyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.74 7 -49.74 3 3 1 40 287.358 4 ↓
Hi High (pH 8-9.5) 2.74 6.67 -5.32 2 3 0 38 286.35 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[2-(2-fluorophenoxy)ethyl]-3,4-dihydro-2H-quinolin-3-amine (3S)-1-[2-(2-fluorophenoxy)ethyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.69 6.9 -46.4 3 3 1 40 287.358 4 ↓
Hi High (pH 8-9.5) 2.69 6.59 -7.89 2 3 0 38 286.35 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[2-(2-fluorophenoxy)ethyl]-3,4-dihydro-2H-quinolin-3-amine (3R)-1-[2-(2-fluorophenoxy)ethyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.69 7 -42.8 3 3 1 40 287.358 4 ↓
Hi High (pH 8-9.5) 2.69 6.68 -7.63 2 3 0 38 286.35 4 ↓

Analogs

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Popular Name: (3S)-1-[2-(4-bromophenoxy)ethyl]-3,4-dihydro-2H-quinolin-3-amine (3S)-1-[2-(4-bromophenoxy)ethyl]…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.39 7.45 -49.58 3 3 1 40 348.264 4 ↓
Hi High (pH 8-9.5) 3.39 7.14 -5.18 2 3 0 38 347.256 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[2-(4-bromophenoxy)ethyl]-3,4-dihydro-2H-quinolin-3-amine (3R)-1-[2-(4-bromophenoxy)ethyl]…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.39 7.55 -48.69 3 3 1 40 348.264 4 ↓
Hi High (pH 8-9.5) 3.39 7.23 -4.79 2 3 0 38 347.256 4 ↓

Analogs

469634
469634
24213122
24213122

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethoxy]aniline 3-[2-[(2R)-2-methyl-3,4-dihydro-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.61 7.87 -6.85 2 3 0 38 282.387 4 ↓

Analogs

469634
469634
24213122
24213122

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethoxy]aniline 3-[2-[(2S)-2-methyl-3,4-dihydro-…

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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) 3.61 8.17 -6.51 2 3 0 38 282.387 4 ↓

Parameters Provided:

ring.id = 274504
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 = 274504 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=274504&filter.purchasability=annotated

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