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

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Popular Name: (4R)-N-[(1S)-1-phenylethyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4R)-N-[(1S)-1-phenylethyl]-4,5,…

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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) 3.14 8.97 -38.33 2 1 1 17 258.41 3 ↓
Hi High (pH 8-9.5) 3.14 8.55 -2.38 1 1 0 12 257.402 3 ↓

Analogs

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Popular Name: (4R)-N-[(1R)-1-phenylethyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4R)-N-[(1R)-1-phenylethyl]-4,5,…

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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) 3.14 9.56 -37.51 2 1 1 17 258.41 3 ↓
Hi High (pH 8-9.5) 3.14 8.63 -3.32 1 1 0 12 257.402 3 ↓

Analogs

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Popular Name: (4S)-N-[(1S)-1-phenylethyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4S)-N-[(1S)-1-phenylethyl]-4,5,…

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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) 3.14 9.58 -37.6 2 1 1 17 258.41 3 ↓
Hi High (pH 8-9.5) 3.14 8.7 -2.61 1 1 0 12 257.402 3 ↓

Analogs

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Popular Name: (4S)-N-[(1R)-1-phenylethyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4S)-N-[(1R)-1-phenylethyl]-4,5,…

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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) 3.14 9 -38.29 2 1 1 17 258.41 3 ↓
Hi High (pH 8-9.5) 3.14 8.62 -3.69 1 1 0 12 257.402 3 ↓

Analogs

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Popular Name: (4R)-N-benzyl-4,5,6,7-tetrahydrobenzothiophen-4-amine (4R)-N-benzyl-4,5,6,7-tetrahydro…

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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) 2.58 8.94 -40.48 2 1 1 17 244.383 3 ↓
Hi High (pH 8-9.5) 2.58 7.76 -3.43 1 1 0 12 243.375 3 ↓

Analogs

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Popular Name: (4S)-N-benzyl-4,5,6,7-tetrahydrobenzothiophen-4-amine (4S)-N-benzyl-4,5,6,7-tetrahydro…

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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) 2.58 8.94 -40.47 2 1 1 17 244.383 3 ↓
Hi High (pH 8-9.5) 2.58 7.87 -3.18 1 1 0 12 243.375 3 ↓

Analogs

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Popular Name: (4R)-N-[(2-methoxyphenyl)methyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4R)-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) 2.59 8.31 -35.81 2 2 1 26 274.409 4 ↓
Hi High (pH 8-9.5) 2.59 7.1 -4.71 1 2 0 21 273.401 4 ↓

Analogs

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Popular Name: (4S)-N-[(2-methoxyphenyl)methyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4S)-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) 2.59 8.3 -36.2 2 2 1 26 274.409 4 ↓
Hi High (pH 8-9.5) 2.59 7.22 -4.1 1 2 0 21 273.401 4 ↓

Analogs

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Popular Name: (4R)-N-[[3-(trifluoromethyl)phenyl]methyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4R)-N-[[3-(trifluoromethyl)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) 3.46 9.94 -46.98 2 1 1 17 312.38 4 ↓
Mid Mid (pH 6-8) 3.46 8.75 -4.66 1 1 0 12 311.372 4 ↓

Analogs

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Popular Name: (4S)-N-[[3-(trifluoromethyl)phenyl]methyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4S)-N-[[3-(trifluoromethyl)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) 3.46 9.94 -46.53 2 1 1 17 312.38 4 ↓
Mid Mid (pH 6-8) 3.46 8.86 -4.76 1 1 0 12 311.372 4 ↓

Analogs

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Popular Name: (4R)-N-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4R)-N-[(2-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) 3.21 9.4 -36.04 2 1 1 17 278.828 3 ↓
Hi High (pH 8-9.5) 3.21 8.2 -3.87 1 1 0 12 277.82 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4S)-N-[(2-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) 3.21 9.4 -36.87 2 1 1 17 278.828 3 ↓
Hi High (pH 8-9.5) 3.21 8.32 -3.27 1 1 0 12 277.82 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4R)-N-[(4-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) 2.64 8.24 -43.82 2 2 1 26 274.409 4 ↓
Hi High (pH 8-9.5) 2.64 7.06 -4.93 1 2 0 21 273.401 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4S)-N-[(4-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) 2.64 8.24 -43.75 2 2 1 26 274.409 4 ↓
Hi High (pH 8-9.5) 2.64 7.17 -4.82 1 2 0 21 273.401 4 ↓

Analogs

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Popular Name: 4-[[[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]amino]methyl]benzenesulfonamide 4-[[[(4R)-4,5,6,7-tetrahydrobenz…

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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) 1.28 3.91 -55.73 4 4 1 77 323.463 4 ↓
Mid Mid (pH 6-8) 1.28 2.73 -11.38 3 4 0 72 322.455 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]amino]methyl]benzenesulfonamide 4-[[[(4S)-4,5,6,7-tetrahydrobenz…

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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) 1.28 3.91 -55.75 4 4 1 77 323.463 4 ↓
Mid Mid (pH 6-8) 1.28 2.84 -11.41 3 4 0 72 322.455 4 ↓

Analogs

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Popular Name: (4R)-N-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4R)-N-[(4-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) 2.75 9.01 -46.79 2 1 1 17 262.373 3 ↓
Hi High (pH 8-9.5) 2.75 7.83 -4.18 1 1 0 12 261.365 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4S)-N-[(4-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) 2.75 9.01 -46.81 2 1 1 17 262.373 3 ↓
Hi High (pH 8-9.5) 2.75 7.94 -4.21 1 1 0 12 261.365 3 ↓

Analogs

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Popular Name: (4R)-N-[(2-fluorophenyl)methyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4R)-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) 2.70 8.98 -37.64 2 1 1 17 262.373 3 ↓
Hi High (pH 8-9.5) 2.70 7.78 -4.49 1 1 0 12 261.365 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-[(2-fluorophenyl)methyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4S)-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) 2.70 8.97 -38.36 2 1 1 17 262.373 3 ↓
Hi High (pH 8-9.5) 2.70 7.9 -3.83 1 1 0 12 261.365 3 ↓

Analogs

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Popular Name: (4R)-N-(p-tolylmethyl)-4,5,6,7-tetrahydrobenzothiophen-4-amine (4R)-N-(p-tolylmethyl)-4,5,6,7-t…

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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 9.62 -40.4 2 1 1 17 258.41 3 ↓
Hi High (pH 8-9.5) 3.03 8.44 -3.46 1 1 0 12 257.402 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-(p-tolylmethyl)-4,5,6,7-tetrahydrobenzothiophen-4-amine (4S)-N-(p-tolylmethyl)-4,5,6,7-t…

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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 9.62 -40.4 2 1 1 17 258.41 3 ↓
Hi High (pH 8-9.5) 3.03 8.55 -3.25 1 1 0 12 257.402 3 ↓

Analogs

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Popular Name: (4R)-N-[(4-bromophenyl)methyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4R)-N-[(4-bromophenyl)methyl]-4…

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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 9.57 -45.79 2 1 1 17 323.279 3 ↓
Hi High (pH 8-9.5) 3.39 8.39 -3.57 1 1 0 12 322.271 3 ↓

Analogs

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Popular Name: (4S)-N-[(4-bromophenyl)methyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4S)-N-[(4-bromophenyl)methyl]-4…

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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 9.57 -45.83 2 1 1 17 323.279 3 ↓
Hi High (pH 8-9.5) 3.39 8.5 -3.46 1 1 0 12 322.271 3 ↓

Analogs

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Popular Name: N-methyl-4-[[[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]amino]methyl]benzamide N-methyl-4-[[[(4R)-4,5,6,7-tetra…

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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) 1.78 7.23 -53.88 3 3 1 46 301.435 4 ↓
Hi High (pH 8-9.5) 1.78 6.04 -10.53 2 3 0 41 300.427 4 ↓

Analogs

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Popular Name: N-methyl-4-[[[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]amino]methyl]benzamide N-methyl-4-[[[(4S)-4,5,6,7-tetra…

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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) 1.78 7.23 -53.47 3 3 1 46 301.435 4 ↓
Hi High (pH 8-9.5) 1.78 6.15 -10.66 2 3 0 41 300.427 4 ↓

Analogs

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Popular Name: (4R)-N-[(1S)-1-(4-fluorophenyl)ethyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4R)-N-[(1S)-1-(4-fluorophenyl)e…

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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) 3.31 9.04 -43.68 2 1 1 17 276.4 3 ↓
Hi High (pH 8-9.5) 3.31 8.62 -3.05 1 1 0 12 275.392 3 ↓

Analogs

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Popular Name: (4R)-N-[(1R)-1-(4-fluorophenyl)ethyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4R)-N-[(1R)-1-(4-fluorophenyl)e…

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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) 3.31 9.63 -43.26 2 1 1 17 276.4 3 ↓
Hi High (pH 8-9.5) 3.31 8.69 -4.19 1 1 0 12 275.392 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-[(1S)-1-(4-fluorophenyl)ethyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4S)-N-[(1S)-1-(4-fluorophenyl)e…

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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) 3.31 9.65 -43.32 2 1 1 17 276.4 3 ↓
Hi High (pH 8-9.5) 3.31 8.77 -3.4 1 1 0 12 275.392 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-[(1R)-1-(4-fluorophenyl)ethyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4S)-N-[(1R)-1-(4-fluorophenyl)e…

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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) 3.31 9.07 -43.68 2 1 1 17 276.4 3 ↓
Hi High (pH 8-9.5) 3.31 8.69 -4.61 1 1 0 12 275.392 3 ↓

Analogs

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Popular Name: (4R)-N-[(1S)-1-(2-methoxyphenyl)ethyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4R)-N-[(1S)-1-(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) 3.15 8.41 -38.33 2 2 1 26 288.436 4 ↓
Hi High (pH 8-9.5) 3.15 7.98 -3.91 1 2 0 21 287.428 4 ↓

Analogs

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Popular Name: (4R)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4R)-N-[(1R)-1-(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) 3.15 9 -35.69 2 2 1 26 288.436 4 ↓
Hi High (pH 8-9.5) 3.15 8.15 -4.33 1 2 0 21 287.428 4 ↓

Analogs

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Popular Name: (4S)-N-[(1S)-1-(2-methoxyphenyl)ethyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4S)-N-[(1S)-1-(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) 3.15 9.02 -35.85 2 2 1 26 288.436 4 ↓
Hi High (pH 8-9.5) 3.15 8.12 -3.75 1 2 0 21 287.428 4 ↓

Analogs

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Popular Name: (4S)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4S)-N-[(1R)-1-(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) 3.15 8.42 -38 2 2 1 26 288.436 4 ↓
Hi High (pH 8-9.5) 3.15 8.13 -4.99 1 2 0 21 287.428 4 ↓

Analogs

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Popular Name: (4R)-N-[(1S)-1-(4-chlorophenyl)ethyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4R)-N-[(1S)-1-(4-chlorophenyl)e…

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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) 3.82 9.49 -42.72 2 1 1 17 292.855 3 ↓
Hi High (pH 8-9.5) 3.82 9.07 -2.43 1 1 0 12 291.847 3 ↓

Analogs

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Popular Name: (4R)-N-[(1R)-1-(4-chlorophenyl)ethyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4R)-N-[(1R)-1-(4-chlorophenyl)e…

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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) 3.82 10.08 -42.2 2 1 1 17 292.855 3 ↓
Hi High (pH 8-9.5) 3.82 9.15 -3.49 1 1 0 12 291.847 3 ↓

Analogs

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Popular Name: (4S)-N-[(1S)-1-(4-chlorophenyl)ethyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4S)-N-[(1S)-1-(4-chlorophenyl)e…

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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) 3.82 10.1 -42.27 2 1 1 17 292.855 3 ↓
Hi High (pH 8-9.5) 3.82 9.22 -2.77 1 1 0 12 291.847 3 ↓

Analogs

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Popular Name: (4S)-N-[(1R)-1-(4-chlorophenyl)ethyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4S)-N-[(1R)-1-(4-chlorophenyl)e…

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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) 3.82 9.52 -42.62 2 1 1 17 292.855 3 ↓
Hi High (pH 8-9.5) 3.82 9.14 -3.94 1 1 0 12 291.847 3 ↓

Analogs

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Popular Name: (4R)-N-[(3,4-dimethoxyphenyl)methyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4R)-N-[(3,4-dimethoxyphenyl)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) 2.23 8.14 -48.13 2 3 1 35 304.435 5 ↓
Hi High (pH 8-9.5) 2.23 6.96 -7.54 1 3 0 30 303.427 5 ↓

Analogs

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Popular Name: (4S)-N-[(3,4-dimethoxyphenyl)methyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4S)-N-[(3,4-dimethoxyphenyl)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) 2.23 8.14 -47.98 2 3 1 35 304.435 5 ↓
Hi High (pH 8-9.5) 2.23 7.07 -7.42 1 3 0 30 303.427 5 ↓

Analogs

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Popular Name: (4R)-N-[(1S)-1-(2-chlorophenyl)ethyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4R)-N-[(1S)-1-(2-chlorophenyl)e…

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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 9.43 -39.8 2 1 1 17 292.855 3 ↓
Hi High (pH 8-9.5) 3.77 8.99 -2.85 1 1 0 12 291.847 3 ↓

Analogs

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Popular Name: (4R)-N-[(1R)-1-(2-chlorophenyl)ethyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4R)-N-[(1R)-1-(2-chlorophenyl)e…

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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 10.04 -36.88 2 1 1 17 292.855 3 ↓
Hi High (pH 8-9.5) 3.77 9.2 -3.25 1 1 0 12 291.847 3 ↓

Analogs

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Popular Name: (4S)-N-[(1S)-1-(2-chlorophenyl)ethyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4S)-N-[(1S)-1-(2-chlorophenyl)e…

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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 10.03 -37.14 2 1 1 17 292.855 3 ↓
Hi High (pH 8-9.5) 3.77 9.13 -2.79 1 1 0 12 291.847 3 ↓

Analogs

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Popular Name: (4S)-N-[(1R)-1-(2-chlorophenyl)ethyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4S)-N-[(1R)-1-(2-chlorophenyl)e…

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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 9.48 -39.37 2 1 1 17 292.855 3 ↓
Hi High (pH 8-9.5) 3.77 9.18 -3.99 1 1 0 12 291.847 3 ↓

Analogs

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Popular Name: (4R)-N-[(1S)-1-(3-chlorophenyl)ethyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4R)-N-[(1S)-1-(3-chlorophenyl)e…

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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) 3.80 9.48 -42.17 2 1 1 17 292.855 3 ↓
Hi High (pH 8-9.5) 3.80 9.06 -2.41 1 1 0 12 291.847 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-[(1R)-1-(3-chlorophenyl)ethyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4R)-N-[(1R)-1-(3-chlorophenyl)e…

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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) 3.80 10.07 -41.26 2 1 1 17 292.855 3 ↓
Hi High (pH 8-9.5) 3.80 9.14 -3.36 1 1 0 12 291.847 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-[(1S)-1-(3-chlorophenyl)ethyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4S)-N-[(1S)-1-(3-chlorophenyl)e…

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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) 3.80 10.09 -41.33 2 1 1 17 292.855 3 ↓
Hi High (pH 8-9.5) 3.80 9.21 -2.62 1 1 0 12 291.847 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-[(1R)-1-(3-chlorophenyl)ethyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4S)-N-[(1R)-1-(3-chlorophenyl)e…

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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) 3.80 9.51 -42.13 2 1 1 17 292.855 3 ↓
Hi High (pH 8-9.5) 3.80 9.13 -4.02 1 1 0 12 291.847 3 ↓

Analogs

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Popular Name: (4R)-N-[(1S)-1-(3,4-dichlorophenyl)ethyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4R)-N-[(1S)-1-(3,4-dichlorophen…

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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 9.94 -46.36 2 1 1 17 327.3 3 ↓
Mid Mid (pH 6-8) 4.43 9.52 -2.83 1 1 0 12 326.292 3 ↓

Analogs

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Popular Name: (4R)-N-[(1R)-1-(3,4-dichlorophenyl)ethyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4R)-N-[(1R)-1-(3,4-dichlorophen…

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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 10.53 -45.74 2 1 1 17 327.3 3 ↓
Mid Mid (pH 6-8) 4.43 9.59 -3.94 1 1 0 12 326.292 3 ↓

Parameters Provided:

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Structural Results Found: (before additional filtering)

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