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

32131063
32131063
32132579
32132579
32231437
32231437
32231441
32231441

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Popular Name: N-(3-ethoxybenzyl)-N-[2-(4-methoxyphenyl)ethyl]amine N-(3-ethoxybenzyl)-N-[2-(4-metho…

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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) 3.77 0.37 -47.07 2 3 1 35 286.395 8 ↓

Analogs

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Popular Name: N-[(3,5-dibromo-2-methoxy-phenyl)methyl]-2-(3-fluorophenyl)ethanamine N-[(3,5-dibromo-2-methoxy-phenyl…

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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 8.43 -4.05 1 2 0 21 417.116 6 ↓
Lo Low (pH 4.5-6) 4.97 9.79 -48.9 2 2 1 26 418.124 6 ↓

Analogs

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Popular Name: N-[(4-bromo-3-nitro-phenyl)methyl]-2-(3-fluorophenyl)ethanamine N-[(4-bromo-3-nitro-phenyl)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) 4.14 8.91 -9.59 1 4 0 58 353.191 6 ↓

Analogs

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Popular Name: N-[(3,4-dimethylphenyl)methyl]-2-(3-fluorophenyl)ethanamine N-[(3,4-dimethylphenyl)methyl]-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) 4.26 8.97 -3.91 1 1 0 12 257.352 5 ↓
Mid Mid (pH 6-8) 4.26 10.33 -46.46 2 1 1 17 258.36 5 ↓

Analogs

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Popular Name: 2-(3-fluorophenyl)-N-[(2-isopropoxyphenyl)methyl]ethanamine 2-(3-fluorophenyl)-N-[(2-isoprop…

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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) 4.19 10.03 -41.86 2 2 1 26 288.386 7 ↓
Mid Mid (pH 6-8) 4.19 8.64 -4.58 1 2 0 21 287.378 7 ↓

Analogs

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Popular Name: 2-(3-fluorophenyl)-N-[(4-methyl-3-nitro-phenyl)methyl]ethanamine 2-(3-fluorophenyl)-N-[(4-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) 3.78 9.09 -8.98 1 4 0 58 288.322 6 ↓
Lo Low (pH 4.5-6) 3.78 10.45 -59.85 2 4 1 62 289.33 6 ↓

Analogs

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Popular Name: N-[(2-allyloxyphenyl)methyl]-2-(3-fluorophenyl)ethanamine N-[(2-allyloxyphenyl)methyl]-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) 4.09 8.6 -4.77 1 2 0 21 285.362 8 ↓
Mid Mid (pH 6-8) 4.09 9.99 -42.51 2 2 1 26 286.37 8 ↓

Analogs

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Popular Name: 2-[2-[[2-(3-fluorophenyl)ethylamino]methyl]phenoxy]acetonitrile 2-[2-[[2-(3-fluorophenyl)ethylam…

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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 7.79 -10 1 3 0 45 284.334 7 ↓
Mid Mid (pH 6-8) 3.23 9.18 -48.85 2 3 1 50 285.342 7 ↓

Analogs

42298759
42298759

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Popular Name: 2-(3-fluorophenyl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine 2-(3-fluorophenyl)-N-[(2,4,5-tri…

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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) 4.64 9.51 -4.13 1 1 0 12 271.379 5 ↓
Mid Mid (pH 6-8) 4.64 10.87 -46.4 2 1 1 17 272.387 5 ↓

Analogs

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Popular Name: 2-[4-[[2-(3-fluorophenyl)ethylamino]methyl]phenoxy]acetonitrile 2-[4-[[2-(3-fluorophenyl)ethylam…

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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) 3.28 7.76 -9.85 1 3 0 45 284.334 7 ↓
Mid Mid (pH 6-8) 3.28 9.11 -57.29 2 3 1 50 285.342 7 ↓

Analogs

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Popular Name: 4-(dimethylamino)-2-methoxy-6-[[methyl-[2-(4-nitrophenyl)ethyl]amino]methyl]phenol 4-(dimethylamino)-2-methoxy-6-[[…

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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) 3.10 6.9 -11.2 1 7 0 82 359.426 8 ↓

Analogs

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Popular Name: 2-[(4-aminophenyl)methyl-phenethyl-amino]acetamide 2-[(4-aminophenyl)methyl-pheneth…

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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) 1.35 5.62 -41.65 5 4 1 74 284.383 7 ↓
Mid Mid (pH 6-8) 1.35 3.61 -9.99 4 4 0 72 283.375 7 ↓

Analogs

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Popular Name: 2-[(3-aminophenyl)methyl-phenethyl-amino]acetamide 2-[(3-aminophenyl)methyl-pheneth…

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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) 1.33 3.63 -10.41 4 4 0 72 283.375 7 ↓
Mid Mid (pH 6-8) 1.33 5.59 -42.32 5 4 1 74 284.383 7 ↓

Analogs

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Popular Name: 2-[(2-aminophenyl)methyl-phenethyl-amino]acetamide 2-[(2-aminophenyl)methyl-pheneth…

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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 3.91 -8.36 4 4 0 72 283.375 7 ↓
Mid Mid (pH 6-8) 1.71 6.04 -41.08 5 4 1 74 284.383 7 ↓

Analogs

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Popular Name: N-[(2-chloro-5-nitro-phenyl)methyl]-2-(4-fluorophenyl)ethanamine N-[(2-chloro-5-nitro-phenyl)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) 4.03 8.93 -6.65 1 4 0 58 308.74 6 ↓
Lo Low (pH 4.5-6) 4.03 10.29 -54.63 2 4 1 62 309.748 6 ↓

Analogs

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Popular Name: N-[(2-chloro-5-nitro-phenyl)methyl]-2-(2-fluorophenyl)ethanamine N-[(2-chloro-5-nitro-phenyl)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) 3.98 8.89 -7.12 1 4 0 58 308.74 6 ↓

Analogs

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Popular Name: N-[(2-chloro-5-nitro-phenyl)methyl]-2-phenyl-ethanamine N-[(2-chloro-5-nitro-phenyl)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) 3.87 8.86 -5.57 1 4 0 58 290.75 6 ↓
Lo Low (pH 4.5-6) 3.87 10.22 -49.44 2 4 1 62 291.758 6 ↓

Analogs

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Popular Name: N-[(2-chloro-5-nitro-phenyl)methyl]-2-(4-chlorophenyl)ethanamine N-[(2-chloro-5-nitro-phenyl)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) 4.54 9.38 -5.97 1 4 0 58 325.195 6 ↓

Analogs

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Popular Name: (2R)-N-[(2-chloro-5-nitro-phenyl)methyl]-2-phenyl-propan-1-amine (2R)-N-[(2-chloro-5-nitro-phenyl…

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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) 4.66 9.53 -5.37 1 4 0 58 304.777 6 ↓
Lo Low (pH 4.5-6) 4.66 10.75 -48.94 2 4 1 62 305.785 6 ↓

Analogs

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Popular Name: (2S)-N-[(2-chloro-5-nitro-phenyl)methyl]-2-phenyl-propan-1-amine (2S)-N-[(2-chloro-5-nitro-phenyl…

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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) 4.66 9.37 -5.51 1 4 0 58 304.777 6 ↓
Lo Low (pH 4.5-6) 4.66 10.73 -48.78 2 4 1 62 305.785 6 ↓

Analogs

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Popular Name: N-[2-(2-methoxyphenyl)ethyl]-N-[(4-methoxyphenyl)methyl]propanamide N-[2-(2-methoxyphenyl)ethyl]-N-[…

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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 9.63 -14.02 0 4 0 39 327.424 8 ↓

Analogs

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Popular Name: N-[2-(2-methoxyphenyl)ethyl]-N-[(4-methoxyphenyl)methyl]-2-methyl-propanamide N-[2-(2-methoxyphenyl)ethyl]-N-[…

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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) 4.05 10.3 -10.13 0 4 0 39 341.451 8 ↓

Analogs

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Popular Name: N-[2-(2-methoxyphenyl)ethyl]-N-[(4-methoxyphenyl)methyl]-3,3-dimethyl-butanamide N-[2-(2-methoxyphenyl)ethyl]-N-[…

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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) 4.91 11.52 -12.02 0 4 0 39 369.505 9 ↓

Analogs

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Popular Name: N-[2-(2-methoxyphenyl)ethyl]-N-[(4-methoxyphenyl)methyl]-3-methyl-butanamide N-[2-(2-methoxyphenyl)ethyl]-N-[…

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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 10.98 -13.2 0 4 0 39 355.478 9 ↓

Analogs

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Popular Name: 2-methoxy-N-[2-(2-methoxyphenyl)ethyl]-N-[(4-methoxyphenyl)methyl]acetamide 2-methoxy-N-[2-(2-methoxyphenyl)…

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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) 2.92 9.02 -17.11 0 5 0 48 343.423 9 ↓

Analogs

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Popular Name: 2-[(1R)-1-[[(1S)-2-(4-fluorophenyl)-1-methyl-ethyl]amino]ethyl]-5-methyl-phenol 2-[(1R)-1-[[(1S)-2-(4-fluorophen…

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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 8.05 -40.94 3 2 1 37 288.386 5 ↓
Mid Mid (pH 6-8) 4.72 7.46 -5.12 2 2 0 32 287.378 5 ↓

Analogs

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Popular Name: 2-[(1S)-1-[[(1S)-2-(4-fluorophenyl)-1-methyl-ethyl]amino]ethyl]-5-methyl-phenol 2-[(1S)-1-[[(1S)-2-(4-fluorophen…

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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 8.28 -40.8 3 2 1 37 288.386 5 ↓
Mid Mid (pH 6-8) 4.72 7.47 -5.16 2 2 0 32 287.378 5 ↓

Analogs

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Popular Name: 2-[(1R)-1-[[(1R)-2-(4-fluorophenyl)-1-methyl-ethyl]amino]ethyl]-5-methyl-phenol 2-[(1R)-1-[[(1R)-2-(4-fluorophen…

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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 8.22 -42.12 3 2 1 37 288.386 5 ↓
Mid Mid (pH 6-8) 4.72 7.38 -5.28 2 2 0 32 287.378 5 ↓

Analogs

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Popular Name: 2-[(1S)-1-[[(1R)-2-(4-fluorophenyl)-1-methyl-ethyl]amino]ethyl]-5-methyl-phenol 2-[(1S)-1-[[(1R)-2-(4-fluorophen…

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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 7.97 -39.64 3 2 1 37 288.386 5 ↓
Mid Mid (pH 6-8) 4.72 7.39 -5.6 2 2 0 32 287.378 5 ↓

Analogs

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Popular Name: 2-[[[(1S)-2-(4-fluorophenyl)-1-methyl-ethyl]amino]methyl]-4-methoxy-phenol 2-[[[(1S)-2-(4-fluorophenyl)-1-m…

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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) 3.77 6.33 -43.04 3 3 1 46 290.358 6 ↓
Mid Mid (pH 6-8) 3.77 5.19 -6.16 2 3 0 41 289.35 6 ↓

Analogs

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Popular Name: 2-[[[(1R)-2-(4-fluorophenyl)-1-methyl-ethyl]amino]methyl]-4-methoxy-phenol 2-[[[(1R)-2-(4-fluorophenyl)-1-m…

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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) 3.77 6.33 -44.09 3 3 1 46 290.358 6 ↓
Mid Mid (pH 6-8) 3.77 5.3 -6.98 2 3 0 41 289.35 6 ↓

Analogs

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Popular Name: (2S)-1-(4-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]propan-2-amine (2S)-1-(4-fluorophenyl)-N-[(1S)-…

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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) 4.52 10.34 -44.87 2 1 1 17 276.35 5 ↓
Mid Mid (pH 6-8) 4.52 9.42 -4.43 1 1 0 12 275.342 5 ↓

Analogs

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Popular Name: (2R)-1-(4-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]propan-2-amine (2R)-1-(4-fluorophenyl)-N-[(1S)-…

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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) 4.52 10.3 -45.18 2 1 1 17 276.35 5 ↓
Mid Mid (pH 6-8) 4.52 9.6 -5.66 1 1 0 12 275.342 5 ↓

Analogs

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Popular Name: (2S)-1-(4-fluorophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]propan-2-amine (2S)-1-(4-fluorophenyl)-N-[(1R)-…

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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) 4.52 10.3 -45.22 2 1 1 17 276.35 5 ↓
Mid Mid (pH 6-8) 4.52 9.41 -3.8 1 1 0 12 275.342 5 ↓

Analogs

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Popular Name: (2R)-1-(4-fluorophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]propan-2-amine (2R)-1-(4-fluorophenyl)-N-[(1R)-…

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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) 4.52 10.32 -44.81 2 1 1 17 276.35 5 ↓
Mid Mid (pH 6-8) 4.52 9.55 -4.29 1 1 0 12 275.342 5 ↓

Analogs

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Popular Name: (2S)-1-(4-fluorophenyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]propan-2-amine (2S)-1-(4-fluorophenyl)-N-[(1S)-…

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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 9.56 -42.5 2 2 1 26 288.386 6 ↓
Mid Mid (pH 6-8) 4.41 8.65 -5.15 1 2 0 21 287.378 6 ↓

Analogs

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Popular Name: (2R)-1-(4-fluorophenyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]propan-2-amine (2R)-1-(4-fluorophenyl)-N-[(1S)-…

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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 9.51 -43.13 2 2 1 26 288.386 6 ↓
Mid Mid (pH 6-8) 4.41 8.83 -6.13 1 2 0 21 287.378 6 ↓

Analogs

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Popular Name: (2S)-1-(4-fluorophenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]propan-2-amine (2S)-1-(4-fluorophenyl)-N-[(1R)-…

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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 9.53 -43.17 2 2 1 26 288.386 6 ↓
Mid Mid (pH 6-8) 4.41 8.64 -4.43 1 2 0 21 287.378 6 ↓

Analogs

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Popular Name: (2R)-1-(4-fluorophenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]propan-2-amine (2R)-1-(4-fluorophenyl)-N-[(1R)-…

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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 9.56 -42.48 2 2 1 26 288.386 6 ↓
Mid Mid (pH 6-8) 4.41 8.79 -4.9 1 2 0 21 287.378 6 ↓

Analogs

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Popular Name: (2S)-N-[(2-chloro-6-fluoro-phenyl)methyl]-1-(4-fluorophenyl)propan-2-amine (2S)-N-[(2-chloro-6-fluoro-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) 4.54 8.92 -4.65 1 1 0 12 295.76 5 ↓
Lo Low (pH 4.5-6) 4.54 10.1 -35.91 2 1 1 17 296.768 5 ↓

Analogs

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Popular Name: (2R)-N-[(2-chloro-6-fluoro-phenyl)methyl]-1-(4-fluorophenyl)propan-2-amine (2R)-N-[(2-chloro-6-fluoro-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) 4.54 9.07 -4.26 1 1 0 12 295.76 5 ↓
Lo Low (pH 4.5-6) 4.54 10.1 -35.81 2 1 1 17 296.768 5 ↓

Analogs

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Popular Name: (2S)-1-(4-fluorophenyl)-N-[(1S)-1-phenylethyl]propan-2-amine (2S)-1-(4-fluorophenyl)-N-[(1S)-…

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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) 4.35 10.27 -39.68 2 1 1 17 258.36 5 ↓
Mid Mid (pH 6-8) 4.35 9.34 -3.66 1 1 0 12 257.352 5 ↓

Analogs

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Popular Name: (2R)-1-(4-fluorophenyl)-N-[(1S)-1-phenylethyl]propan-2-amine (2R)-1-(4-fluorophenyl)-N-[(1S)-…

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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) 4.35 10.23 -39.89 2 1 1 17 258.36 5 ↓
Mid Mid (pH 6-8) 4.35 9.53 -4.34 1 1 0 12 257.352 5 ↓

Analogs

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Popular Name: (2S)-1-(4-fluorophenyl)-N-[(1R)-1-phenylethyl]propan-2-amine (2S)-1-(4-fluorophenyl)-N-[(1R)-…

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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) 4.35 10.23 -39.95 2 1 1 17 258.36 5 ↓
Mid Mid (pH 6-8) 4.35 9.35 -3.18 1 1 0 12 257.352 5 ↓

Analogs

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Popular Name: (2R)-1-(4-fluorophenyl)-N-[(1R)-1-phenylethyl]propan-2-amine (2R)-1-(4-fluorophenyl)-N-[(1R)-…

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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) 4.35 10.26 -39.63 2 1 1 17 258.36 5 ↓
Mid Mid (pH 6-8) 4.35 9.48 -3.38 1 1 0 12 257.352 5 ↓

Analogs

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Popular Name: 4-[(1S)-1-[[(1S)-2-(4-fluorophenyl)-1-methyl-ethyl]amino]ethyl]benzene-1,3-diol 4-[(1S)-1-[[(1S)-2-(4-fluorophen…

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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 4.75 -44.58 4 3 1 57 290.358 5 ↓
Mid Mid (pH 6-8) 3.79 3.95 -6.69 3 3 0 52 289.35 5 ↓

Analogs

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Popular Name: 4-[(1S)-1-[[(1R)-2-(4-fluorophenyl)-1-methyl-ethyl]amino]ethyl]benzene-1,3-diol 4-[(1S)-1-[[(1R)-2-(4-fluorophen…

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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 4.44 -43.27 4 3 1 57 290.358 5 ↓
Mid Mid (pH 6-8) 3.79 4.11 -7.55 3 3 0 52 289.35 5 ↓

Analogs

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Popular Name: 4-[(1R)-1-[[(1S)-2-(4-fluorophenyl)-1-methyl-ethyl]amino]ethyl]benzene-1,3-diol 4-[(1R)-1-[[(1S)-2-(4-fluorophen…

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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 4.52 -44.28 4 3 1 57 290.358 5 ↓
Mid Mid (pH 6-8) 3.79 3.79 -6.29 3 3 0 52 289.35 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1R)-1-[[(1R)-2-(4-fluorophenyl)-1-methyl-ethyl]amino]ethyl]benzene-1,3-diol 4-[(1R)-1-[[(1R)-2-(4-fluorophen…

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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 4.69 -45.26 4 3 1 57 290.358 5 ↓
Mid Mid (pH 6-8) 3.79 3.9 -7 3 3 0 52 289.35 5 ↓

Analogs

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Popular Name: (2S)-1-(4-fluorophenyl)-N-[(1S)-1-(3-methoxyphenyl)ethyl]propan-2-amine (2S)-1-(4-fluorophenyl)-N-[(1S)-…

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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) 4.39 9.56 -41.39 2 2 1 26 288.386 6 ↓
Mid Mid (pH 6-8) 4.39 8.64 -5.23 1 2 0 21 287.378 6 ↓

Parameters Provided:

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filter.purchasability = annotated
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Structural Results Found: (before additional filtering)

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