UCSF
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Analogs

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Popular Name: 2-[[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]sulfonyl]-N-methyl-aniline 2-[[(4aR,8aS)-3,4,4a,5,6,7,8,8a-…

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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 6.1 -8.27 1 4 0 49 308.447 3 ↓

Analogs

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Popular Name: 2-[[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]sulfonyl]-N-methyl-aniline 2-[[(4aS,8aS)-3,4,4a,5,6,7,8,8a-…

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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 5.84 -10.05 1 4 0 49 308.447 3 ↓

Analogs

25365096
25365096
25365098
25365098
25365334
25365334
25365339
25365339
25365344
25365344

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Popular Name: (4aR,8aS)-1-(2-chloro-4-methyl-phenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline (4aR,8aS)-1-(2-chloro-4-methyl-p…

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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) 4.48 7.54 -7.41 0 3 0 37 327.877 2 ↓

Analogs

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Popular Name: (4aS,8aS)-1-(2-chloro-4-methyl-phenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline (4aS,8aS)-1-(2-chloro-4-methyl-p…

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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) 4.48 7.83 -8.5 0 3 0 37 327.877 2 ↓

Analogs

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Popular Name: (4aR,8aS)-1-(2,4-difluorophenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline (4aR,8aS)-1-(2,4-difluorophenyl)…

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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 6.74 -6.48 0 3 0 37 315.385 2 ↓

Analogs

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Popular Name: (4aS,8aS)-1-(2,4-difluorophenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline (4aS,8aS)-1-(2,4-difluorophenyl)…

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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 6.67 -7.28 0 3 0 37 315.385 2 ↓

Analogs

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Popular Name: (4aR,8aS)-1-[3-(trifluoromethyl)phenyl]sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline (4aR,8aS)-1-[3-(trifluoromethyl)…

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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) 4.29 7.73 -8 0 3 0 37 347.402 3 ↓

Analogs

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Popular Name: (4aS,8aS)-1-[3-(trifluoromethyl)phenyl]sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline (4aS,8aS)-1-[3-(trifluoromethyl)…

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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) 4.29 7.51 -9.25 0 3 0 37 347.402 3 ↓

Analogs

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Popular Name: (4aR,8aS)-1-[2-(trifluoromethyl)phenyl]sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline (4aR,8aS)-1-[2-(trifluoromethyl)…

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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) 4.27 8.38 -13.87 0 3 0 37 347.402 3 ↓

Analogs

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Popular Name: (4aS,8aS)-1-[2-(trifluoromethyl)phenyl]sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline (4aS,8aS)-1-[2-(trifluoromethyl)…

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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) 4.27 8.04 -9.35 0 3 0 37 347.402 3 ↓

Analogs

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Popular Name: (4aR,8aS)-1-(2,4-dimethylphenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline (4aR,8aS)-1-(2,4-dimethylphenyl)…

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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) 4.25 7.67 -7.5 0 3 0 37 307.459 2 ↓

Analogs

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Popular Name: (4aS,8aS)-1-(2,4-dimethylphenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline (4aS,8aS)-1-(2,4-dimethylphenyl)…

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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) 4.25 8 -9.74 0 3 0 37 307.459 2 ↓

Analogs

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Popular Name: methyl methyl

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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) 3.57 7.36 -11.49 0 5 0 64 337.441 4 ↓

Analogs

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Popular Name: methyl methyl

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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) 3.57 7.12 -12.04 0 5 0 64 337.441 4 ↓

Analogs

16491465
16491465
16491468
16491468

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Popular Name: (4aS,8R,8aR)-1-(benzenesulfonyl)-8-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline (4aS,8R,8aR)-1-(benzenesulfonyl)…

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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) 3.67 6.98 -8.51 0 3 0 37 293.432 2 ↓

Analogs

16491465
16491465
16491468
16491468

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Popular Name: (4aS,8S,8aR)-1-(benzenesulfonyl)-8-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline (4aS,8S,8aR)-1-(benzenesulfonyl)…

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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) 3.67 7.22 -8.15 0 3 0 37 293.432 2 ↓

Analogs

16491465
16491465
16491468
16491468

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Popular Name: (4aR,8R,8aR)-1-(benzenesulfonyl)-8-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline (4aR,8R,8aR)-1-(benzenesulfonyl)…

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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) 3.67 7.1 -7.01 0 3 0 37 293.432 2 ↓

Analogs

16491465
16491465
16491468
16491468

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Popular Name: (4aR,8S,8aR)-1-(benzenesulfonyl)-8-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline (4aR,8S,8aR)-1-(benzenesulfonyl)…

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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) 3.67 7.01 -8.06 0 3 0 37 293.432 2 ↓

Analogs

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Popular Name: (4aR,8aS)-1-(2,5-dibromophenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline (4aR,8aS)-1-(2,5-dibromophenyl)s…

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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) 4.97 7.55 -6.16 0 3 0 37 437.197 2 ↓

Analogs

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Popular Name: (4aS,8aS)-1-(2,5-dibromophenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline (4aS,8aS)-1-(2,5-dibromophenyl)s…

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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) 4.97 7.96 -7.68 0 3 0 37 437.197 2 ↓

Analogs

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Popular Name: (4aR,8aS)-1-(4-bromo-2-chloro-phenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline (4aR,8aS)-1-(4-bromo-2-chloro-ph…

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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) 4.84 7.49 -5.62 0 3 0 37 392.746 2 ↓

Analogs

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Popular Name: (4aS,8aS)-1-(4-bromo-2-chloro-phenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline (4aS,8aS)-1-(4-bromo-2-chloro-ph…

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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) 4.84 7.78 -6.53 0 3 0 37 392.746 2 ↓

Analogs

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Popular Name: (4aR,8aS)-1-(4-bromo-3-methyl-phenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline (4aR,8aS)-1-(4-bromo-3-methyl-ph…

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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) 4.61 7.89 -6.62 0 3 0 37 372.328 2 ↓

Analogs

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Popular Name: (4aS,8aS)-1-(4-bromo-3-methyl-phenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline (4aS,8aS)-1-(4-bromo-3-methyl-ph…

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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) 4.61 7.66 -7.53 0 3 0 37 372.328 2 ↓

Analogs

37108736
37108736

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Popular Name: (4aR,8aS)-1-(2-bromophenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline (4aR,8aS)-1-(2-bromophenyl)sulfo…

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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) 4.18 6.94 -7.59 0 3 0 37 358.301 2 ↓

Analogs

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Popular Name: (4aS,8aS)-1-(2-bromophenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline (4aS,8aS)-1-(2-bromophenyl)sulfo…

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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) 4.18 7.35 -8.79 0 3 0 37 358.301 2 ↓

Analogs

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Popular Name: (4aR,8aS)-1-(m-tolylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline (4aR,8aS)-1-(m-tolylsulfonyl)-3,…

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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) 3.85 7.37 -7.9 0 3 0 37 293.432 2 ↓

Analogs

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Popular Name: (4aS,8aS)-1-(m-tolylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline (4aS,8aS)-1-(m-tolylsulfonyl)-3,…

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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) 3.85 7.14 -8.8 0 3 0 37 293.432 2 ↓

Analogs

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Popular Name: (4aR,8aS)-1-(3-chlorophenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline (4aR,8aS)-1-(3-chlorophenyl)sulf…

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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) 4.08 7.22 -7.37 0 3 0 37 313.85 2 ↓

Analogs

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Popular Name: (4aS,8aS)-1-(3-chlorophenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline (4aS,8aS)-1-(3-chlorophenyl)sulf…

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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) 4.08 7 -8.15 0 3 0 37 313.85 2 ↓

Analogs

42157726
42157726
42161743
42161743
42161745
42161745
36796896
36796896
36796897
36796897

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Popular Name: (4aR,8aS)-1-(3-fluoro-4-methoxy-phenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline (4aR,8aS)-1-(3-fluoro-4-methoxy-…

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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) 3.57 6.09 -9.4 0 4 0 47 327.421 3 ↓

Analogs

42161743
42161743
42161745
42161745
42157725
42157725
36796896
36796896
36796897
36796897

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Popular Name: (4aS,8aS)-1-(3-fluoro-4-methoxy-phenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline (4aS,8aS)-1-(3-fluoro-4-methoxy-…

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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) 3.57 5.86 -10.03 0 4 0 47 327.421 3 ↓

Parameters Provided:

ring.id = 14070
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 = 14070 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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