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Analogs

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Popular Name: 4-methyl-2-[(1R)-1-(1-naphthylamino)ethyl]phenol 4-methyl-2-[(1R)-1-(1-naphthylam…

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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) 5.28 8.13 -6.42 2 2 0 32 277.367 3 ↓

Analogs

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Popular Name: 4-methyl-2-[(1S)-1-(1-naphthylamino)ethyl]phenol 4-methyl-2-[(1S)-1-(1-naphthylam…

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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) 5.28 8.14 -5.83 2 2 0 32 277.367 3 ↓

Analogs

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Popular Name: N-[(2-chloro-6-fluoro-phenyl)methyl]naphthalen-1-amine N-[(2-chloro-6-fluoro-phenyl)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) 5.10 9.9 -5.89 1 1 0 12 285.749 3 ↓

Analogs

6319563
6319563

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Popular Name: 4-[(1-naphthylamino)methyl]benzamide 4-[(1-naphthylamino)methyl]benza…

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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 6.25 -10.92 3 3 0 55 276.339 4 ↓

Analogs

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Popular Name: N-methyl-4-[[methyl(1-naphthyl)amino]methyl]benzamide N-methyl-4-[[methyl(1-naphthyl)a…

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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 10.23 -9.86 1 3 0 32 304.393 4 ↓

Analogs

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Popular Name: (3R)-3-(1-naphthylamino)-3-phenyl-propanenitrile (3R)-3-(1-naphthylamino)-3-pheny…

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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) 3.99 10.29 -9.69 1 2 0 36 272.351 4 ↓

Analogs

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Popular Name: (3S)-3-(1-naphthylamino)-3-phenyl-propanenitrile (3S)-3-(1-naphthylamino)-3-pheny…

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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) 3.99 10.3 -9.67 1 2 0 36 272.351 4 ↓

Analogs

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Popular Name: 4-[[methyl(1-naphthyl)amino]methyl]benzamide 4-[[methyl(1-naphthyl)amino]meth…

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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) 3.42 8.27 -9.08 2 3 0 46 290.366 4 ↓

Analogs

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Popular Name: 3-[[methyl(1-naphthyl)amino]methyl]benzamide 3-[[methyl(1-naphthyl)amino]meth…

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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 8.27 -12.19 2 3 0 46 290.366 4 ↓

Analogs

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Popular Name: N,N-dimethyl-3-[[methyl(1-naphthyl)amino]methyl]benzamide N,N-dimethyl-3-[[methyl(1-naphth…

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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) 3.54 11.82 -9.99 0 3 0 24 318.42 4 ↓

Analogs

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Popular Name: 1-naphthalenamine, N-[[4-(pentyloxy)phenyl]methyl]- 1-naphthalenamine, N-[[4-(pentyl…

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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) 6.35 12.06 -5.08 1 2 0 21 319.448 8 ↓

Analogs

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Popular Name: 1-naphthalenamine, N-[(4-butoxyphenyl)methyl]- 1-naphthalenamine, N-[(4-butoxyp…

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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) 5.85 11.28 -5.11 1 2 0 21 305.421 7 ↓

Analogs

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Popular Name: 1-naphthalenamine, N-[(4-propoxyphenyl)methyl]- 1-naphthalenamine, N-[(4-propoxy…

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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) 5.29 10.5 -5.16 1 2 0 21 291.394 6 ↓

Analogs

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Popular Name: 1-naphthalenamine, N-[(2-butoxyphenyl)methyl]- 1-naphthalenamine, N-[(2-butoxyp…

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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) 5.80 11.32 -5.28 1 2 0 21 305.421 7 ↓

Analogs

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Popular Name: 1-naphthalenamine, N-[[2-(hexyloxy)phenyl]methyl]- 1-naphthalenamine, N-[[2-(hexylo…

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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) 6.81 12.88 -5.21 1 2 0 21 333.475 9 ↓

Analogs

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Popular Name: 1-naphthalenamine, N-[[2-(3-methylbutoxy)phenyl]methyl]- 1-naphthalenamine, N-[[2-(3-meth…

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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) 6.01 11.84 -5.13 1 2 0 21 319.448 7 ↓

Analogs

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Popular Name: 1-naphthalenamine, N-[[2-(2-methylpropoxy)phenyl]methyl]- 1-naphthalenamine, N-[[2-(2-meth…

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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) 5.48 11.23 -5.14 1 2 0 21 305.421 6 ↓

Analogs

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Popular Name: 1-naphthalenamine, N-[[2-(pentyloxy)phenyl]methyl]- 1-naphthalenamine, N-[[2-(pentyl…

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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) 6.30 12.1 -5.24 1 2 0 21 319.448 8 ↓

Analogs

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Popular Name: 1-naphthalenamine, N-[(2-propoxyphenyl)methyl]- 1-naphthalenamine, N-[(2-propoxy…

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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) 5.24 10.53 -5.35 1 2 0 21 291.394 6 ↓

Analogs

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Popular Name: 1-naphthalenamine, N-[[4-(3-methylbutoxy)phenyl]methyl]- 1-naphthalenamine, N-[[4-(3-meth…

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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) 6.06 11.8 -4.97 1 2 0 21 319.448 7 ↓

Analogs

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Popular Name: 1-naphthalenamine, N-[[4-(1-methylethoxy)phenyl]methyl]- 1-naphthalenamine, N-[[4-(1-meth…

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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) 5.15 10.32 -5.34 1 2 0 21 291.394 5 ↓

Analogs

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Popular Name: 1-naphthalenamine, N-[(3-butoxyphenyl)methyl]- 1-naphthalenamine, N-[(3-butoxyp…

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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) 5.82 11.28 -5.41 1 2 0 21 305.421 7 ↓

Analogs

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Popular Name: 1-naphthalenamine, N-[[4-(2-methoxyethoxy)phenyl]methyl]- 1-naphthalenamine, N-[[4-(2-meth…

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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) 4.30 8.97 -7.43 1 3 0 30 307.393 7 ↓

Analogs

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Popular Name: 1-naphthalenamine, N-[[2-(2-methoxyethoxy)phenyl]methyl]- 1-naphthalenamine, N-[[2-(2-meth…

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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 9 -7.43 1 3 0 30 307.393 7 ↓

Analogs

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Popular Name: 1-naphthalenamine, N-[[2-(1-methylethoxy)phenyl]methyl]- 1-naphthalenamine, N-[[2-(1-meth…

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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) 5.10 10.36 -5.38 1 2 0 21 291.394 5 ↓

Analogs

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Popular Name: 1-naphthalenamine, N-[[3-(2-ethoxyethoxy)phenyl]methyl]- 1-naphthalenamine, N-[[3-(2-etho…

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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) 4.65 9.94 -7.65 1 3 0 30 321.42 8 ↓

Analogs

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Popular Name: 1-naphthalenamine, N-[[3-(2-methylpropoxy)phenyl]methyl]- 1-naphthalenamine, N-[[3-(2-meth…

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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) 5.51 11.2 -5.28 1 2 0 21 305.421 6 ↓

Analogs

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Popular Name: 1-naphthalenamine, N-[[4-(1-methylpropoxy)phenyl]methyl]- 1-naphthalenamine, N-[[4-(1-meth…

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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) 5.65 11.13 -5.16 1 2 0 21 305.421 6 ↓

Analogs

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Popular Name: 1-naphthalenamine, N-[[4-(1-methylpropoxy)phenyl]methyl]- 1-naphthalenamine, N-[[4-(1-meth…

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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) 5.65 11.13 -5.17 1 2 0 21 305.421 6 ↓

Analogs

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Popular Name: 1-naphthalenamine, N-[[3-(1-methylethoxy)phenyl]methyl]- 1-naphthalenamine, N-[[3-(1-meth…

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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) 5.12 10.32 -5.56 1 2 0 21 291.394 5 ↓

Analogs

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Popular Name: 2-bromo-6-[(1-naphthylamino)methyl]phenol 2-bromo-6-[(1-naphthylamino)meth…

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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) 4.85 7.34 -6.34 2 2 0 32 328.209 3 ↓
Hi High (pH 8-9.5) 4.85 8.1 -40.24 1 2 -1 35 327.201 3 ↓

Analogs

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Popular Name: 5-[(3-bromo-2-hydroxy-phenyl)methylamino]naphthalen-1-ol 5-[(3-bromo-2-hydroxy-phenyl)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) 4.58 4.53 -7.94 3 3 0 52 344.208 3 ↓
Hi High (pH 8-9.5) 4.58 5.28 -40.23 2 3 -1 55 343.2 3 ↓

Analogs

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Popular Name: N-[(1S)-1-(4-iodophenyl)ethyl]naphthalen-1-amine N-[(1S)-1-(4-iodophenyl)ethyl]na…

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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) 6.00 11.31 -4.53 1 1 0 12 373.237 3 ↓

Analogs

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Popular Name: N-[(1R)-1-(4-iodophenyl)ethyl]naphthalen-1-amine N-[(1R)-1-(4-iodophenyl)ethyl]na…

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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) 6.00 11.31 -4.52 1 1 0 12 373.237 3 ↓

Analogs

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Popular Name: N-[(1R)-1-(m-tolyl)ethyl]naphthalen-1-amine N-[(1R)-1-(m-tolyl)ethyl]naphtha…

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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) 5.34 10.87 -4.49 1 1 0 12 261.368 3 ↓

Analogs

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Popular Name: N-[(1S)-1-(m-tolyl)ethyl]naphthalen-1-amine N-[(1S)-1-(m-tolyl)ethyl]naphtha…

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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) 5.34 10.88 -4.5 1 1 0 12 261.368 3 ↓

Analogs

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Popular Name: N-[(1S)-1-(3-bromophenyl)propyl]naphthalen-1-amine N-[(1S)-1-(3-bromophenyl)propyl]…

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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) 6.20 11.17 -4.57 1 1 0 12 340.264 4 ↓

Analogs

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Popular Name: N-[(1R)-1-(3-bromophenyl)propyl]naphthalen-1-amine N-[(1R)-1-(3-bromophenyl)propyl]…

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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) 6.20 11.8 -4.56 1 1 0 12 340.264 4 ↓

Analogs

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Popular Name: N-[(2,4,5-trimethylphenyl)methyl]naphthalen-1-amine N-[(2,4,5-trimethylphenyl)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) 5.56 11.2 -4.2 1 1 0 12 275.395 3 ↓

Analogs

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Popular Name: N-[(2,3,6-trichlorophenyl)methyl]naphthalen-1-amine N-[(2,3,6-trichlorophenyl)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) 6.24 10.76 -4.65 1 1 0 12 336.649 3 ↓

Analogs

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Popular Name: N-[(1S)-1-(2-chloro-4-fluoro-phenyl)ethyl]naphthalen-1-amine N-[(1S)-1-(2-chloro-4-fluoro-phe…

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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) 5.68 10.73 -4.92 1 1 0 12 299.776 3 ↓

Analogs

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Popular Name: N-[(1R)-1-(2-chloro-4-fluoro-phenyl)ethyl]naphthalen-1-amine N-[(1R)-1-(2-chloro-4-fluoro-phe…

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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) 5.68 10.72 -4.9 1 1 0 12 299.776 3 ↓

Analogs

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Popular Name: N-[(3,4-dimethylphenyl)methyl]naphthalen-1-amine N-[(3,4-dimethylphenyl)methyl]na…

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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) 5.18 10.69 -4.36 1 1 0 12 261.368 3 ↓

Analogs

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Popular Name: N-[(4-methoxy-3-methyl-phenyl)methyl]naphthalen-1-amine N-[(4-methoxy-3-methyl-phenyl)me…

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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) 4.79 9.51 -5.55 1 2 0 21 277.367 4 ↓

Analogs

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Popular Name: N-[(1S)-1-(3-bromo-4-fluoro-phenyl)ethyl]naphthalen-1-amine N-[(1S)-1-(3-bromo-4-fluoro-phen…

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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) 5.81 10.87 -5.92 1 1 0 12 344.227 3 ↓

Analogs

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Popular Name: N-[(1R)-1-(3-bromo-4-fluoro-phenyl)ethyl]naphthalen-1-amine N-[(1R)-1-(3-bromo-4-fluoro-phen…

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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) 5.81 10.86 -5.91 1 1 0 12 344.227 3 ↓

Analogs

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Popular Name: N-[(1S)-2-methyl-1-phenyl-propyl]naphthalen-1-amine N-[(1S)-2-methyl-1-phenyl-propyl…

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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) 5.66 11.76 -4.36 1 1 0 12 275.395 4 ↓

Analogs

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Popular Name: N-[(1R)-2-methyl-1-phenyl-propyl]naphthalen-1-amine N-[(1R)-2-methyl-1-phenyl-propyl…

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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) 5.66 11.66 -4.3 1 1 0 12 275.395 4 ↓

Analogs

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Popular Name: 3-[(1S)-1-(1-naphthylamino)ethyl]benzonitrile 3-[(1S)-1-(1-naphthylamino)ethyl…

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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) 4.64 10.59 -8.09 1 2 0 36 272.351 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(1R)-1-(1-naphthylamino)ethyl]benzonitrile 3-[(1R)-1-(1-naphthylamino)ethyl…

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) 4.64 10.59 -8.05 1 2 0 36 272.351 3 ↓

Parameters Provided:

ring.id = 19388
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 = 19388 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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