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5965114
5965114

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Popular Name: INN INN

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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) 4.16 3.32 -43.38 1 3 1 22 314.449 8 ↓

Analogs

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Popular Name: N-[(1S)-1,4-diphenylbutyl]-2-methoxy-acetamide N-[(1S)-1,4-diphenylbutyl]-2-met…

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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) 2.67 10.27 -13.13 1 3 0 38 297.398 8 ↓

Analogs

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Popular Name: N-[(1R)-1,4-diphenylbutyl]-2-methoxy-acetamide N-[(1R)-1,4-diphenylbutyl]-2-met…

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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) 2.67 10.26 -13.17 1 3 0 38 297.398 8 ↓

Analogs

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Popular Name: (2S)-1-(3-chlorophenyl)-4-(4-methoxyphenyl)butan-2-amine (2S)-1-(3-chlorophenyl)-4-(4-met…

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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) 4.01 8.43 -52.8 3 2 1 37 290.814 6 ↓

Analogs

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Popular Name: (2R)-1-(3-chlorophenyl)-4-(4-methoxyphenyl)butan-2-amine (2R)-1-(3-chlorophenyl)-4-(4-met…

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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) 4.01 8.44 -50.38 3 2 1 37 290.814 6 ↓

Analogs

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Popular Name: (2S)-1-(3-chlorophenyl)-4-(m-tolyl)butan-2-amine (2S)-1-(3-chlorophenyl)-4-(m-tol…

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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) 4.38 9.79 -50.3 3 1 1 28 274.815 5 ↓

Analogs

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Popular Name: (2R)-1-(3-chlorophenyl)-4-(m-tolyl)butan-2-amine (2R)-1-(3-chlorophenyl)-4-(m-tol…

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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) 4.38 9.8 -47.26 3 1 1 28 274.815 5 ↓

Analogs

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Popular Name: (2S)-1-(3-chlorophenyl)-4-(o-tolyl)butan-2-amine (2S)-1-(3-chlorophenyl)-4-(o-tol…

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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) 4.36 9.59 -50.98 3 1 1 28 274.815 5 ↓

Analogs

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Popular Name: (2R)-1-(3-chlorophenyl)-4-(o-tolyl)butan-2-amine (2R)-1-(3-chlorophenyl)-4-(o-tol…

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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) 4.36 9.61 -48.93 3 1 1 28 274.815 5 ↓

Analogs

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Popular Name: (2S)-1-(3-chlorophenyl)-4-(4-methoxyphenyl)-N-methyl-butan-2-amine (2S)-1-(3-chlorophenyl)-4-(4-met…

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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) 4.92 9.97 -46.07 2 2 1 26 304.841 7 ↓

Analogs

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Popular Name: (2R)-1-(3-chlorophenyl)-4-(4-methoxyphenyl)-N-methyl-butan-2-amine (2R)-1-(3-chlorophenyl)-4-(4-met…

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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) 4.92 9.92 -50.07 2 2 1 26 304.841 7 ↓

Analogs

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Popular Name: (2S)-1-(3-chlorophenyl)-N-methyl-4-(o-tolyl)butan-2-amine (2S)-1-(3-chlorophenyl)-N-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) 5.26 11.15 -44.64 2 1 1 17 288.842 6 ↓

Analogs

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Popular Name: (2R)-1-(3-chlorophenyl)-N-methyl-4-(o-tolyl)butan-2-amine (2R)-1-(3-chlorophenyl)-N-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) 5.26 11.09 -48.53 2 1 1 17 288.842 6 ↓

Analogs

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Popular Name: (2S)-1-phenyl-4-(p-tolyl)butan-2-amine (2S)-1-phenyl-4-(p-tolyl)butan-2…

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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) 3.75 9.29 -45.98 3 1 1 28 240.37 5 ↓

Analogs

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Popular Name: (2R)-1-phenyl-4-(p-tolyl)butan-2-amine (2R)-1-phenyl-4-(p-tolyl)butan-2…

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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) 3.75 9.29 -45.94 3 1 1 28 240.37 5 ↓

Analogs

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Popular Name: (2S)-1-(2-chlorophenyl)-4-(p-tolyl)butan-2-amine (2S)-1-(2-chlorophenyl)-4-(p-tol…

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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) 4.38 9.67 -46.63 3 1 1 28 274.815 5 ↓

Analogs

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Popular Name: (2R)-1-(2-chlorophenyl)-4-(p-tolyl)butan-2-amine (2R)-1-(2-chlorophenyl)-4-(p-tol…

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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) 4.38 9.93 -38.71 3 1 1 28 274.815 5 ↓

Analogs

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Popular Name: (2S)-1-(2-nitrophenyl)-4-(p-tolyl)butan-2-amine (2S)-1-(2-nitrophenyl)-4-(p-toly…

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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) 3.66 9.62 -53.72 3 4 1 73 285.367 6 ↓

Analogs

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Popular Name: (2R)-1-(2-nitrophenyl)-4-(p-tolyl)butan-2-amine (2R)-1-(2-nitrophenyl)-4-(p-toly…

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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) 3.66 9.62 -53.77 3 4 1 73 285.367 6 ↓

Analogs

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Popular Name: (2S)-1-(4-methoxyphenyl)-4-(p-tolyl)butan-2-amine (2S)-1-(4-methoxyphenyl)-4-(p-to…

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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) 3.81 8.59 -48.56 3 2 1 37 270.396 6 ↓

Analogs

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Popular Name: (2R)-1-(4-methoxyphenyl)-4-(p-tolyl)butan-2-amine (2R)-1-(4-methoxyphenyl)-4-(p-to…

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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) 3.81 8.59 -49.33 3 2 1 37 270.396 6 ↓

Analogs

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Popular Name: (2S)-1-(4-nitrophenyl)-4-(p-tolyl)butan-2-amine (2S)-1-(4-nitrophenyl)-4-(p-toly…

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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 10.01 -61.96 3 4 1 73 285.367 6 ↓

Analogs

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Popular Name: (2R)-1-(4-nitrophenyl)-4-(p-tolyl)butan-2-amine (2R)-1-(4-nitrophenyl)-4-(p-toly…

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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 10.01 -61.94 3 4 1 73 285.367 6 ↓

Analogs

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Popular Name: (2S)-1-(4-fluorophenyl)-4-(p-tolyl)butan-2-amine (2S)-1-(4-fluorophenyl)-4-(p-tol…

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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 9.36 -51.23 3 1 1 28 258.36 5 ↓

Analogs

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Popular Name: (2R)-1-(4-fluorophenyl)-4-(p-tolyl)butan-2-amine (2R)-1-(4-fluorophenyl)-4-(p-tol…

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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 9.36 -51.18 3 1 1 28 258.36 5 ↓

Analogs

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Popular Name: (2S)-1-(4-chlorophenyl)-4-(p-tolyl)butan-2-amine (2S)-1-(4-chlorophenyl)-4-(p-tol…

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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) 4.43 9.81 -50.16 3 1 1 28 274.815 5 ↓

Analogs

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Popular Name: (2R)-1-(4-chlorophenyl)-4-(p-tolyl)butan-2-amine (2R)-1-(4-chlorophenyl)-4-(p-tol…

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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) 4.43 9.81 -50.16 3 1 1 28 274.815 5 ↓

Analogs

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Popular Name: (2S)-1-(3-methoxyphenyl)-4-(p-tolyl)butan-2-amine (2S)-1-(3-methoxyphenyl)-4-(p-to…

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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) 3.78 8.59 -48.37 3 2 1 37 270.396 6 ↓

Analogs

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Popular Name: (2R)-1-(3-methoxyphenyl)-4-(p-tolyl)butan-2-amine (2R)-1-(3-methoxyphenyl)-4-(p-to…

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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) 3.78 8.59 -45.74 3 2 1 37 270.396 6 ↓

Analogs

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Popular Name: (2S)-1-(2-methoxyphenyl)-4-(p-tolyl)butan-2-amine (2S)-1-(2-methoxyphenyl)-4-(p-to…

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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) 3.76 8.62 -45.1 3 2 1 37 270.396 6 ↓

Analogs

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Popular Name: (2R)-1-(2-methoxyphenyl)-4-(p-tolyl)butan-2-amine (2R)-1-(2-methoxyphenyl)-4-(p-to…

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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) 3.76 9.04 -40.11 3 2 1 37 270.396 6 ↓

Analogs

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Popular Name: (2S)-1-(3-fluorophenyl)-4-(p-tolyl)butan-2-amine (2S)-1-(3-fluorophenyl)-4-(p-tol…

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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) 3.89 9.36 -51.21 3 1 1 28 258.36 5 ↓

Analogs

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Popular Name: (2R)-1-(3-fluorophenyl)-4-(p-tolyl)butan-2-amine (2R)-1-(3-fluorophenyl)-4-(p-tol…

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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) 3.89 9.36 -48.07 3 1 1 28 258.36 5 ↓

Analogs

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Popular Name: (2S)-1-(2-fluorophenyl)-4-(p-tolyl)butan-2-amine (2S)-1-(2-fluorophenyl)-4-(p-tol…

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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) 3.87 9.3 -47.53 3 1 1 28 258.36 5 ↓

Analogs

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Popular Name: (2R)-1-(2-fluorophenyl)-4-(p-tolyl)butan-2-amine (2R)-1-(2-fluorophenyl)-4-(p-tol…

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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) 3.87 9.45 -40.32 3 1 1 28 258.36 5 ↓

Analogs

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Popular Name: (2S)-1-(o-tolyl)-4-(p-tolyl)butan-2-amine (2S)-1-(o-tolyl)-4-(p-tolyl)buta…

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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) 4.15 9.73 -46.21 3 1 1 28 254.397 5 ↓

Analogs

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Popular Name: (2R)-1-(o-tolyl)-4-(p-tolyl)butan-2-amine (2R)-1-(o-tolyl)-4-(p-tolyl)buta…

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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) 4.15 9.71 -45.88 3 1 1 28 254.397 5 ↓

Analogs

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Popular Name: (2S)-1,4-bis(p-tolyl)butan-2-amine (2S)-1,4-bis(p-tolyl)butan-2-amine

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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) 4.20 9.97 -45.99 3 1 1 28 254.397 5 ↓

Analogs

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Popular Name: (2R)-1,4-bis(p-tolyl)butan-2-amine (2R)-1,4-bis(p-tolyl)butan-2-amine

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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) 4.20 9.97 -45.97 3 1 1 28 254.397 5 ↓

Analogs

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Popular Name: (2S)-1-(4-methoxyphenyl)-N-methyl-4-(p-tolyl)butan-2-amine (2S)-1-(4-methoxyphenyl)-N-methy…

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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) 4.72 10.13 -42.15 2 2 1 26 284.423 7 ↓

Analogs

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Popular Name: (2R)-1-(4-methoxyphenyl)-N-methyl-4-(p-tolyl)butan-2-amine (2R)-1-(4-methoxyphenyl)-N-methy…

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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) 4.72 10.07 -48.09 2 2 1 26 284.423 7 ↓

Analogs

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Popular Name: (2S)-1-(4-fluorophenyl)-N-methyl-4-(p-tolyl)butan-2-amine (2S)-1-(4-fluorophenyl)-N-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) 4.82 10.9 -44.75 2 1 1 17 272.387 6 ↓

Analogs

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Popular Name: (2R)-1-(4-fluorophenyl)-N-methyl-4-(p-tolyl)butan-2-amine (2R)-1-(4-fluorophenyl)-N-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) 4.82 10.84 -50.02 2 1 1 17 272.387 6 ↓

Analogs

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Popular Name: (2S)-1-(3-methoxyphenyl)-N-methyl-4-(p-tolyl)butan-2-amine (2S)-1-(3-methoxyphenyl)-N-methy…

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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) 4.69 10.13 -41.74 2 2 1 26 284.423 7 ↓

Analogs

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Popular Name: (2R)-1-(3-methoxyphenyl)-N-methyl-4-(p-tolyl)butan-2-amine (2R)-1-(3-methoxyphenyl)-N-methy…

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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) 4.69 10.07 -45.94 2 2 1 26 284.423 7 ↓

Analogs

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Popular Name: (2S)-1-(2-methoxyphenyl)-N-methyl-4-(p-tolyl)butan-2-amine (2S)-1-(2-methoxyphenyl)-N-methy…

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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) 4.67 10.18 -38.4 2 2 1 26 284.423 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-(2-methoxyphenyl)-N-methyl-4-(p-tolyl)butan-2-amine (2R)-1-(2-methoxyphenyl)-N-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) 4.67 10.14 -41.84 2 2 1 26 284.423 7 ↓

Analogs

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Popular Name: (2S)-1-(3-fluorophenyl)-N-methyl-4-(p-tolyl)butan-2-amine (2S)-1-(3-fluorophenyl)-N-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) 4.80 10.9 -44.39 2 1 1 17 272.387 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-(3-fluorophenyl)-N-methyl-4-(p-tolyl)butan-2-amine (2R)-1-(3-fluorophenyl)-N-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) 4.80 10.84 -47.92 2 1 1 17 272.387 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-(2-fluorophenyl)-N-methyl-4-(p-tolyl)butan-2-amine (2S)-1-(2-fluorophenyl)-N-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) 4.78 10.85 -40.61 2 1 1 17 272.387 6 ↓

Parameters Provided:

ring.id = 546
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 = 546 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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