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Analogs

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

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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) 3.05 5.85 -39.25 3 2 1 37 248.371 5 ↓
Mid Mid (pH 6-8) 3.05 4.66 -4.7 2 2 0 32 247.363 5 ↓

Analogs

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

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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) 3.05 5.83 -41.44 3 2 1 37 248.371 5 ↓
Mid Mid (pH 6-8) 3.05 4.7 -4.76 2 2 0 32 247.363 5 ↓

Analogs

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Popular Name: (2S)-N-[(3,4-difluorophenyl)methyl]-1-(2-thienyl)propan-2-amine (2S)-N-[(3,4-difluorophenyl)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) 3.79 7.64 -4.82 1 1 0 12 267.344 5 ↓
Mid Mid (pH 6-8) 3.79 8.83 -44.79 2 1 1 17 268.352 5 ↓

Analogs

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Popular Name: (2R)-N-[(3,4-difluorophenyl)methyl]-1-(2-thienyl)propan-2-amine (2R)-N-[(3,4-difluorophenyl)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) 3.79 7.68 -6.01 1 1 0 12 267.344 5 ↓
Mid Mid (pH 6-8) 3.79 8.81 -48.1 2 1 1 17 268.352 5 ↓

Analogs

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Popular Name: (2S)-1-(2-thienyl)-N-[(2,4,6-trimethylphenyl)methyl]propan-2-amine (2S)-1-(2-thienyl)-N-[(2,4,6-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) 4.73 9.24 -3.33 1 1 0 12 273.445 5 ↓
Mid Mid (pH 6-8) 4.73 10.39 -34.96 2 1 1 17 274.453 5 ↓

Analogs

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Popular Name: (2R)-1-(2-thienyl)-N-[(2,4,6-trimethylphenyl)methyl]propan-2-amine (2R)-1-(2-thienyl)-N-[(2,4,6-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) 4.73 9.19 -2.83 1 1 0 12 273.445 5 ↓
Mid Mid (pH 6-8) 4.73 10.36 -36.83 2 1 1 17 274.453 5 ↓

Analogs

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Popular Name: (2S)-N-[(4-ethylphenyl)methyl]-1-(2-thienyl)propan-2-amine (2S)-N-[(4-ethylphenyl)methyl]-1…

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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) 4.44 10.15 -35.32 2 1 1 17 260.426 6 ↓
Mid Mid (pH 6-8) 4.44 9 -3.16 1 1 0 12 259.418 6 ↓

Analogs

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Popular Name: (2R)-N-[(4-ethylphenyl)methyl]-1-(2-thienyl)propan-2-amine (2R)-N-[(4-ethylphenyl)methyl]-1…

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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) 4.44 10.13 -37.34 2 1 1 17 260.426 6 ↓
Mid Mid (pH 6-8) 4.44 8.94 -2.63 1 1 0 12 259.418 6 ↓

Analogs

43392940
43392940
43392942
43392942

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Popular Name: (2S)-N-(m-tolylmethyl)-1-(2-thienyl)propan-2-amine (2S)-N-(m-tolylmethyl)-1-(2-thie…

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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) 3.95 9.37 -35.32 2 1 1 17 246.399 5 ↓
Mid Mid (pH 6-8) 3.95 8.22 -3.38 1 1 0 12 245.391 5 ↓

Analogs

43392940
43392940
43392942
43392942

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Popular Name: (2R)-N-(m-tolylmethyl)-1-(2-thienyl)propan-2-amine (2R)-N-(m-tolylmethyl)-1-(2-thie…

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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) 3.95 9.35 -37.39 2 1 1 17 246.399 5 ↓
Mid Mid (pH 6-8) 3.95 8.17 -2.8 1 1 0 12 245.391 5 ↓

Analogs

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Popular Name: (2S)-N-[(2,6-dichlorophenyl)methyl]-1-(2-thienyl)propan-2-amine (2S)-N-[(2,6-dichlorophenyl)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) 4.79 8.34 -3.73 1 1 0 12 300.254 5 ↓
Lo Low (pH 4.5-6) 4.79 9.53 -29.08 2 1 1 17 301.262 5 ↓

Analogs

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Popular Name: (2R)-N-[(2,6-dichlorophenyl)methyl]-1-(2-thienyl)propan-2-amine (2R)-N-[(2,6-dichlorophenyl)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) 4.79 8.38 -3.12 1 1 0 12 300.254 5 ↓
Lo Low (pH 4.5-6) 4.79 9.5 -30.8 2 1 1 17 301.262 5 ↓

Analogs

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Popular Name: (2S)-N-[(4-methylsulfanylphenyl)methyl]-1-(2-thienyl)propan-2-amine (2S)-N-[(4-methylsulfanylphenyl)…

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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) 3.96 8.54 -4.1 1 1 0 12 277.458 6 ↓
Mid Mid (pH 6-8) 3.96 9.73 -38.95 2 1 1 17 278.466 6 ↓

Analogs

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Popular Name: (2R)-N-[(4-methylsulfanylphenyl)methyl]-1-(2-thienyl)propan-2-amine (2R)-N-[(4-methylsulfanylphenyl)…

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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) 3.96 8.58 -3.85 1 1 0 12 277.458 6 ↓
Mid Mid (pH 6-8) 3.96 9.71 -40.73 2 1 1 17 278.466 6 ↓

Analogs

37996882
37996882
37996883
37996883

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethoxy-4-[[[(1S)-1-methyl-2-(2-thienyl)ethyl]amino]methyl]phenol 2-ethoxy-4-[[[(1S)-1-methyl-2-(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) 3.25 6.76 -42.27 3 3 1 46 292.424 7 ↓
Mid Mid (pH 6-8) 3.25 5.6 -6.61 2 3 0 41 291.416 7 ↓

Analogs

37996882
37996882
37996883
37996883

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethoxy-4-[[[(1R)-1-methyl-2-(2-thienyl)ethyl]amino]methyl]phenol 2-ethoxy-4-[[[(1R)-1-methyl-2-(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) 3.25 6.73 -44.14 3 3 1 46 292.424 7 ↓
Mid Mid (pH 6-8) 3.25 5.55 -5.85 2 3 0 41 291.416 7 ↓

Analogs

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Popular Name: 2,6-dimethoxy-4-[[[(1S)-1-methyl-2-(2-thienyl)ethyl]amino]methyl]phenol 2,6-dimethoxy-4-[[[(1S)-1-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) 2.89 4.52 -8.16 2 4 0 51 307.415 7 ↓
Mid Mid (pH 6-8) 2.89 5.71 -46.27 3 4 1 55 308.423 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,6-dimethoxy-4-[[[(1R)-1-methyl-2-(2-thienyl)ethyl]amino]methyl]phenol 2,6-dimethoxy-4-[[[(1R)-1-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) 2.89 4.56 -8.27 2 4 0 51 307.415 7 ↓
Mid Mid (pH 6-8) 2.89 5.69 -48.43 3 4 1 55 308.423 7 ↓

Analogs

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Popular Name: (2S)-N-(p-tolylmethyl)-1-(2-thienyl)propan-2-amine (2S)-N-(p-tolylmethyl)-1-(2-thie…

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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 9.38 -35.3 2 1 1 17 246.399 5 ↓
Mid Mid (pH 6-8) 3.98 8.23 -3.33 1 1 0 12 245.391 5 ↓

Analogs

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Popular Name: (2R)-N-(p-tolylmethyl)-1-(2-thienyl)propan-2-amine (2R)-N-(p-tolylmethyl)-1-(2-thie…

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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 9.36 -37.33 2 1 1 17 246.399 5 ↓
Mid Mid (pH 6-8) 3.98 8.18 -2.78 1 1 0 12 245.391 5 ↓

Analogs

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Popular Name: (2S)-N-(o-tolylmethyl)-1-(2-thienyl)propan-2-amine (2S)-N-(o-tolylmethyl)-1-(2-thie…

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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) 3.93 8.17 -3.54 1 1 0 12 245.391 5 ↓
Mid Mid (pH 6-8) 3.93 9.32 -34.85 2 1 1 17 246.399 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(o-tolylmethyl)-1-(2-thienyl)propan-2-amine (2R)-N-(o-tolylmethyl)-1-(2-thie…

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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) 3.93 8.06 -2.83 1 1 0 12 245.391 5 ↓
Mid Mid (pH 6-8) 3.93 9.3 -36.3 2 1 1 17 246.399 5 ↓

Analogs

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Popular Name: 2-bromo-6-methoxy-4-[[[(1S)-1-methyl-2-(2-thienyl)ethyl]amino]methyl]phenol 2-bromo-6-methoxy-4-[[[(1S)-1-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) 3.84 5.29 -5.84 2 3 0 41 356.285 6 ↓
Hi High (pH 8-9.5) 3.84 6.2 -45.61 1 3 -1 44 355.277 6 ↓
Mid Mid (pH 6-8) 3.84 6.48 -44 3 3 1 46 357.293 6 ↓

Analogs

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Popular Name: 2-bromo-6-methoxy-4-[[[(1R)-1-methyl-2-(2-thienyl)ethyl]amino]methyl]phenol 2-bromo-6-methoxy-4-[[[(1R)-1-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) 3.84 5.33 -6.59 2 3 0 41 356.285 6 ↓
Hi High (pH 8-9.5) 3.84 6.24 -45.44 1 3 -1 44 355.277 6 ↓
Mid Mid (pH 6-8) 3.84 6.46 -47.22 3 3 1 46 357.293 6 ↓

Analogs

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Popular Name: (2S)-N-[(5-bromo-2-methoxy-phenyl)methyl]-1-(2-thienyl)propan-2-amine (2S)-N-[(5-bromo-2-methoxy-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) 4.32 7.47 -4.16 1 2 0 21 340.286 6 ↓
Mid Mid (pH 6-8) 4.32 8.68 -33.75 2 2 1 26 341.294 6 ↓

Analogs

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Popular Name: (2R)-N-[(5-bromo-2-methoxy-phenyl)methyl]-1-(2-thienyl)propan-2-amine (2R)-N-[(5-bromo-2-methoxy-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) 4.32 7.51 -3.79 1 2 0 21 340.286 6 ↓
Mid Mid (pH 6-8) 4.32 8.66 -35.9 2 2 1 26 341.294 6 ↓

Analogs

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Popular Name: (2S)-N-[(2-methoxyphenyl)methyl]-1-(2-thienyl)propan-2-amine (2S)-N-[(2-methoxyphenyl)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) 3.54 6.85 -4.73 1 2 0 21 261.39 6 ↓
Mid Mid (pH 6-8) 3.54 8.06 -31.4 2 2 1 26 262.398 6 ↓

Analogs

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Popular Name: (2R)-N-[(2-methoxyphenyl)methyl]-1-(2-thienyl)propan-2-amine (2R)-N-[(2-methoxyphenyl)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) 3.54 6.89 -4.5 1 2 0 21 261.39 6 ↓
Mid Mid (pH 6-8) 3.54 8.05 -34.18 2 2 1 26 262.398 6 ↓

Analogs

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Popular Name: 3-[[[(1S)-1-methyl-2-(2-thienyl)ethyl]amino]methyl]phenol 3-[[[(1S)-1-methyl-2-(2-thienyl)…

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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) 3.03 4.66 -4.77 2 2 0 32 247.363 5 ↓
Mid Mid (pH 6-8) 3.03 5.85 -38.31 3 2 1 37 248.371 5 ↓

Analogs

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Popular Name: 3-[[[(1R)-1-methyl-2-(2-thienyl)ethyl]amino]methyl]phenol 3-[[[(1R)-1-methyl-2-(2-thienyl)…

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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) 3.03 4.7 -5.08 2 2 0 32 247.363 5 ↓
Mid Mid (pH 6-8) 3.03 5.83 -40.92 3 2 1 37 248.371 5 ↓

Analogs

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Popular Name: (2S)-N-[(3-fluorophenyl)methyl]-1-(2-thienyl)propan-2-amine (2S)-N-[(3-fluorophenyl)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) 3.67 7.58 -3.86 1 1 0 12 249.354 5 ↓
Mid Mid (pH 6-8) 3.67 8.78 -38.75 2 1 1 17 250.362 5 ↓

Analogs

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Popular Name: (2R)-N-[(3-fluorophenyl)methyl]-1-(2-thienyl)propan-2-amine (2R)-N-[(3-fluorophenyl)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) 3.67 7.62 -4.5 1 1 0 12 249.354 5 ↓
Mid Mid (pH 6-8) 3.67 8.75 -41.93 2 1 1 17 250.362 5 ↓

Analogs

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Popular Name: (2S)-N-[(2-fluorophenyl)methyl]-1-(2-thienyl)propan-2-amine (2S)-N-[(2-fluorophenyl)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) 3.65 7.55 -4.52 1 1 0 12 249.354 5 ↓
Mid Mid (pH 6-8) 3.65 8.73 -32.72 2 1 1 17 250.362 5 ↓

Analogs

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Popular Name: (2R)-N-[(2-fluorophenyl)methyl]-1-(2-thienyl)propan-2-amine (2R)-N-[(2-fluorophenyl)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) 3.65 7.58 -5.16 1 1 0 12 249.354 5 ↓
Mid Mid (pH 6-8) 3.65 8.71 -36.63 2 1 1 17 250.362 5 ↓

Analogs

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Popular Name: (2S)-N-[(4-ethoxyphenyl)methyl]-1-(2-thienyl)propan-2-amine (2S)-N-[(4-ethoxyphenyl)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) 3.96 8.93 -38.36 2 2 1 26 276.425 7 ↓
Mid Mid (pH 6-8) 3.96 7.78 -4.72 1 2 0 21 275.417 7 ↓

Analogs

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Popular Name: (2R)-N-[(4-ethoxyphenyl)methyl]-1-(2-thienyl)propan-2-amine (2R)-N-[(4-ethoxyphenyl)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) 3.96 8.91 -40.19 2 2 1 26 276.425 7 ↓
Mid Mid (pH 6-8) 3.96 7.73 -3.95 1 2 0 21 275.417 7 ↓

Analogs

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Popular Name: (2S)-N-[(2-ethoxyphenyl)methyl]-1-(2-thienyl)propan-2-amine (2S)-N-[(2-ethoxyphenyl)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) 3.91 7.84 -3.89 1 2 0 21 275.417 7 ↓
Mid Mid (pH 6-8) 3.91 9 -31.02 2 2 1 26 276.425 7 ↓

Analogs

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Popular Name: (2R)-N-[(2-ethoxyphenyl)methyl]-1-(2-thienyl)propan-2-amine (2R)-N-[(2-ethoxyphenyl)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) 3.91 7.52 -4.13 1 2 0 21 275.417 7 ↓
Mid Mid (pH 6-8) 3.91 8.98 -33.75 2 2 1 26 276.425 7 ↓

Analogs

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Popular Name: (2S)-1-(2-thienyl)-N-[[3-(trifluoromethyl)phenyl]methyl]propan-2-amine (2S)-1-(2-thienyl)-N-[[3-(triflu…

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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) 4.40 8.54 -3.82 1 1 0 12 299.361 6 ↓
Lo Low (pH 4.5-6) 4.40 9.73 -40.08 2 1 1 17 300.369 6 ↓

Analogs

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Popular Name: (2R)-1-(2-thienyl)-N-[[3-(trifluoromethyl)phenyl]methyl]propan-2-amine (2R)-1-(2-thienyl)-N-[[3-(triflu…

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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) 4.40 8.57 -4.7 1 1 0 12 299.361 6 ↓
Lo Low (pH 4.5-6) 4.40 9.71 -43.54 2 1 1 17 300.369 6 ↓

Analogs

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Popular Name: (2S)-N-[(4-isopropylphenyl)methyl]-1-(2-thienyl)propan-2-amine (2S)-N-[(4-isopropylphenyl)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) 5.04 10.64 -35.28 2 1 1 17 274.453 6 ↓
Mid Mid (pH 6-8) 5.04 9.45 -2.97 1 1 0 12 273.445 6 ↓

Analogs

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Popular Name: (2R)-N-[(4-isopropylphenyl)methyl]-1-(2-thienyl)propan-2-amine (2R)-N-[(4-isopropylphenyl)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) 5.04 10.62 -37.32 2 1 1 17 274.453 6 ↓
Mid Mid (pH 6-8) 5.04 9.48 -2.77 1 1 0 12 273.445 6 ↓

Analogs

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Popular Name: (2S)-N-[(4-ethoxy-3-methoxy-phenyl)methyl]-1-(2-thienyl)propan-2-amine (2S)-N-[(4-ethoxy-3-methoxy-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) 3.55 8.82 -42.27 2 3 1 35 306.451 8 ↓
Mid Mid (pH 6-8) 3.55 7.67 -7.19 1 3 0 30 305.443 8 ↓

Analogs

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Popular Name: (2R)-N-[(4-ethoxy-3-methoxy-phenyl)methyl]-1-(2-thienyl)propan-2-amine (2R)-N-[(4-ethoxy-3-methoxy-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) 3.55 8.8 -44.25 2 3 1 35 306.451 8 ↓
Mid Mid (pH 6-8) 3.55 7.62 -6.32 1 3 0 30 305.443 8 ↓

Analogs

37996882
37996882
37996883
37996883

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Popular Name: (2S)-N-[(3-methoxyphenyl)methyl]-1-(2-thienyl)propan-2-amine (2S)-N-[(3-methoxyphenyl)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) 3.56 6.81 -4.82 1 2 0 21 261.39 6 ↓
Mid Mid (pH 6-8) 3.56 8.01 -36.35 2 2 1 26 262.398 6 ↓

Analogs

37996882
37996882
37996883
37996883

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Popular Name: (2R)-N-[(3-methoxyphenyl)methyl]-1-(2-thienyl)propan-2-amine (2R)-N-[(3-methoxyphenyl)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) 3.56 6.85 -5.22 1 2 0 21 261.39 6 ↓
Mid Mid (pH 6-8) 3.56 7.98 -39.16 2 2 1 26 262.398 6 ↓

Analogs

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Popular Name: (2S)-N-[(3-chlorophenyl)methyl]-1-(2-thienyl)propan-2-amine (2S)-N-[(3-chlorophenyl)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) 4.18 8.03 -3.21 1 1 0 12 265.809 5 ↓
Mid Mid (pH 6-8) 4.18 9.22 -37.85 2 1 1 17 266.817 5 ↓

Analogs

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Popular Name: (2R)-N-[(3-chlorophenyl)methyl]-1-(2-thienyl)propan-2-amine (2R)-N-[(3-chlorophenyl)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) 4.18 8.06 -3.75 1 1 0 12 265.809 5 ↓
Mid Mid (pH 6-8) 4.18 9.2 -40.9 2 1 1 17 266.817 5 ↓

Analogs

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Popular Name: (2S)-N-[(4-butoxyphenyl)methyl]-1-(2-thienyl)propan-2-amine (2S)-N-[(4-butoxyphenyl)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) 5.02 10.51 -38.27 2 2 1 26 304.479 9 ↓
Mid Mid (pH 6-8) 5.02 9.36 -4.4 1 2 0 21 303.471 9 ↓

Analogs

37996882
37996882
37996883
37996883

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[(4-butoxyphenyl)methyl]-1-(2-thienyl)propan-2-amine (2R)-N-[(4-butoxyphenyl)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) 5.02 10.49 -40.11 2 2 1 26 304.479 9 ↓
Mid Mid (pH 6-8) 5.02 9.31 -3.58 1 2 0 21 303.471 9 ↓

Parameters Provided:

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

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