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Analogs

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Popular Name: (2R)-1-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-phenyl-propan-2-amine (2R)-1-[(2R)-2-methyl-3,4-dihydr…

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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) 4.32 8.99 -37.58 3 2 1 31 281.423 3 ↓
Hi High (pH 8-9.5) 4.32 8.72 -3.53 2 2 0 29 280.415 3 ↓

Analogs

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Popular Name: (2R)-1-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-phenyl-propan-2-amine (2R)-1-[(2S)-2-methyl-3,4-dihydr…

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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) 4.32 9.05 -42.06 3 2 1 31 281.423 3 ↓
Hi High (pH 8-9.5) 4.32 8.84 -3.19 2 2 0 29 280.415 3 ↓

Analogs

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Popular Name: (2R)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-phenyl-propan-2-amine (2R)-1-(6-methyl-3,4-dihydro-2H-…

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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) 4.41 9.3 -42.3 3 2 1 31 281.423 3 ↓
Hi High (pH 8-9.5) 4.41 8.94 -3.22 2 2 0 29 280.415 3 ↓

Analogs

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Popular Name: (2S)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-phenyl-propan-2-amine (2S)-1-(6-methyl-3,4-dihydro-2H-…

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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) 4.41 9.24 -36.27 3 2 1 31 281.423 3 ↓
Hi High (pH 8-9.5) 4.41 9.02 -2.8 2 2 0 29 280.415 3 ↓

Analogs

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Popular Name: 2-[2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethyl]aniline 2-[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) 4.12 9.2 -4.37 2 2 0 29 266.388 3 ↓
Lo Low (pH 4.5-6) 4.12 9.38 -30.38 3 2 1 30 267.396 3 ↓

Analogs

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Popular Name: 2-[2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethyl]aniline 2-[2-[(2S)-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) 4.12 9.23 -4.26 2 2 0 29 266.388 3 ↓
Lo Low (pH 4.5-6) 4.12 9.33 -31.12 3 2 1 30 267.396 3 ↓

Analogs

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Popular Name: 2-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]aniline 2-[2-(6-methyl-3,4-dihydro-2H-qu…

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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) 4.21 9.48 -4.07 2 2 0 29 266.388 3 ↓
Lo Low (pH 4.5-6) 4.21 9.76 -34.33 3 2 1 30 267.396 3 ↓

Analogs

22209391
22209391

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Popular Name: (1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-1-phenyl-ethanamine (1S)-2-(3,4-dihydro-2H-quinolin-…

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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) 1.67 -2.84 -46.02 3 2 1 31 253.369 3 ↓

Analogs

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Popular Name: (1R)-2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-1-(p-tolyl)ethanamine (1R)-2-[(2S)-2-methyl-3,4-dihydr…

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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) 2.44 9.3 -38.3 3 2 1 31 281.423 3 ↓
Hi High (pH 8-9.5) 2.44 8.98 -3.03 2 2 0 29 280.415 3 ↓

Analogs

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

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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) 2.11 9.06 -40.91 3 2 1 31 285.386 3 ↓
Hi High (pH 8-9.5) 2.11 8.66 -4.34 2 2 0 29 284.378 3 ↓

Analogs

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

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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) 2.11 8.7 -38.83 3 2 1 31 285.386 3 ↓
Hi High (pH 8-9.5) 2.11 8.42 -4.07 2 2 0 29 284.378 3 ↓

Analogs

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

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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) 2.16 9.04 -46.34 3 2 1 31 285.386 3 ↓
Hi High (pH 8-9.5) 2.16 8.64 -4.72 2 2 0 29 284.378 3 ↓

Analogs

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

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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) 2.16 8.69 -44.1 3 2 1 31 285.386 3 ↓
Hi High (pH 8-9.5) 2.16 8.41 -4.53 2 2 0 29 284.378 3 ↓

Analogs

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Popular Name: (1-phenethyl-3,4-dihydro-2H-quinolin-6-yl)methanamine (1-phenethyl-3,4-dihydro-2H-quin…

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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) 3.52 8.78 -43.59 3 2 1 31 267.396 4 ↓

Analogs

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Popular Name: (1S)-2-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-1-phenyl-ethanol (1S)-2-(6-amino-3,4-dihydro-2H-q…

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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) 2.42 5.47 -6.22 3 3 0 49 268.36 3 ↓
Mid Mid (pH 6-8) 2.42 5.92 -32.91 4 3 1 51 269.368 3 ↓

Analogs

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Popular Name: (1R)-2-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-1-phenyl-ethanol (1R)-2-(6-amino-3,4-dihydro-2H-q…

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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) 2.42 5.53 -6.17 3 3 0 49 268.36 3 ↓
Mid Mid (pH 6-8) 2.42 6.27 -32.42 4 3 1 51 269.368 3 ↓

Analogs

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Popular Name: 1-[2-(4-methoxyphenyl)ethyl]-3,4-dihydro-2H-quinolin-6-amine 1-[2-(4-methoxyphenyl)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) 3.46 7.91 -5.74 2 3 0 38 282.387 4 ↓
Mid Mid (pH 6-8) 3.46 8.29 -36.18 3 3 1 40 283.395 4 ↓

Analogs

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Popular Name: (2S)-1-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-2-phenyl-propan-2-ol (2S)-1-(6-amino-3,4-dihydro-2H-q…

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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 5.99 -5.37 3 3 0 49 282.387 3 ↓
Mid Mid (pH 6-8) 3.00 5.85 -33.95 4 3 1 51 283.395 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-2-phenyl-propan-2-ol (2R)-1-(6-amino-3,4-dihydro-2H-q…

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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 5.94 -5.17 3 3 0 49 282.387 3 ↓
Mid Mid (pH 6-8) 3.00 5.76 -34.59 4 3 1 51 283.395 3 ↓

Analogs

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Popular Name: (3R)-1-phenethyl-3,4-dihydro-2H-quinolin-3-amine (3R)-1-phenethyl-3,4-dihydro-2H-…

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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) 2.70 8.03 -50.82 3 2 1 31 253.369 3 ↓
Hi High (pH 8-9.5) 2.70 7.72 -3.52 2 2 0 29 252.361 3 ↓

Analogs

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Popular Name: (3S)-1-phenethyl-3,4-dihydro-2H-quinolin-3-amine (3S)-1-phenethyl-3,4-dihydro-2H-…

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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) 2.70 7.98 -50.3 3 2 1 31 253.369 3 ↓
Hi High (pH 8-9.5) 2.70 7.65 -3.8 2 2 0 29 252.361 3 ↓

Analogs

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Popular Name: (1S)-2-[(3R)-3-amino-3,4-dihydro-2H-quinolin-1-yl]-1-phenyl-ethanol (1S)-2-[(3R)-3-amino-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) 1.71 4.92 -49.95 4 3 1 51 269.368 3 ↓
Hi High (pH 8-9.5) 1.71 4.6 -5.43 3 3 0 49 268.36 3 ↓

Analogs

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Popular Name: (1R)-2-[(3R)-3-amino-3,4-dihydro-2H-quinolin-1-yl]-1-phenyl-ethanol (1R)-2-[(3R)-3-amino-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) 1.71 5.03 -50.29 4 3 1 51 269.368 3 ↓
Hi High (pH 8-9.5) 1.71 4.72 -5.18 3 3 0 49 268.36 3 ↓

Analogs

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Popular Name: (3R)-1-[2-(4-methoxyphenyl)ethyl]-3,4-dihydro-2H-quinolin-3-amine (3R)-1-[2-(4-methoxyphenyl)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) 2.76 7.33 -52.73 3 3 1 40 283.395 4 ↓
Hi High (pH 8-9.5) 2.76 7.02 -4.93 2 3 0 38 282.387 4 ↓

Analogs

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Popular Name: (3S)-1-[2-(4-methoxyphenyl)ethyl]-3,4-dihydro-2H-quinolin-3-amine (3S)-1-[2-(4-methoxyphenyl)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) 2.76 7.28 -52.11 3 3 1 40 283.395 4 ↓
Hi High (pH 8-9.5) 2.76 6.95 -5.32 2 3 0 38 282.387 4 ↓

Analogs

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Popular Name: (2S)-1-[(3R)-3-amino-3,4-dihydro-2H-quinolin-1-yl]-2-phenyl-propan-2-ol (2S)-1-[(3R)-3-amino-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) 2.29 5.09 -48.39 4 3 1 51 283.395 3 ↓
Hi High (pH 8-9.5) 2.29 4.77 -4.67 3 3 0 49 282.387 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[(3R)-3-amino-3,4-dihydro-2H-quinolin-1-yl]-2-phenyl-propan-2-ol (2R)-1-[(3R)-3-amino-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) 2.29 5.16 -50.87 4 3 1 51 283.395 3 ↓
Hi High (pH 8-9.5) 2.29 4.84 -4.69 3 3 0 49 282.387 3 ↓

Analogs

20552388
20552388
4830918
4830918

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

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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) 2.00 8.97 -40.32 3 2 1 31 267.396 3 ↓
Hi High (pH 8-9.5) 2.00 8.64 -3.18 2 2 0 29 266.388 3 ↓

Analogs

20552388
20552388
4830918
4830918

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Popular Name: (1R)-2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-1-phenyl-ethanamine (1R)-2-[(2S)-2-methyl-3,4-dihydr…

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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) 2.00 8.62 -38.26 3 2 1 31 267.396 3 ↓
Hi High (pH 8-9.5) 2.00 8.3 -3.02 2 2 0 29 266.388 3 ↓

Analogs

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Popular Name: 1-phenethyl-3,4-dihydro-2H-quinolin-8-amine 1-phenethyl-3,4-dihydro-2H-quino…

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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) 3.79 9.07 -3.33 2 2 0 29 252.361 3 ↓

Parameters Provided:

ring.id = 30629
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 = 30629 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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