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Popular Name: (1S)-2-(3-chlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanamine (1S)-2-(3-chlorophenyl)-1-(5,6-d…

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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) 2.44 8.67 -44.44 3 1 1 28 278.828 3 ↓
Hi High (pH 8-9.5) 2.44 8.35 -4.11 2 1 0 26 277.82 3 ↓

Analogs

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Popular Name: (1R)-2-(3-chlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanamine (1R)-2-(3-chlorophenyl)-1-(5,6-d…

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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) 2.44 8.68 -41.73 3 1 1 28 278.828 3 ↓
Hi High (pH 8-9.5) 2.44 8.37 -3.69 2 1 0 26 277.82 3 ↓

Analogs

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Popular Name: (1S)-2-(3-chlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methyl-ethanamine (1S)-2-(3-chlorophenyl)-1-(5,6-d…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.69 10.23 -42.01 2 1 1 17 292.855 4 ↓
Hi High (pH 8-9.5) 4.69 9.15 -3.83 1 1 0 12 291.847 4 ↓

Analogs

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Popular Name: (1R)-2-(3-chlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methyl-ethanamine (1R)-2-(3-chlorophenyl)-1-(5,6-d…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.69 10.44 -38.81 2 1 1 17 292.855 4 ↓
Hi High (pH 8-9.5) 4.69 9.36 -3.12 1 1 0 12 291.847 4 ↓

Analogs

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Popular Name: (1S)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-phenyl-ethanamine (1S)-1-(5,6-dihydro-4H-cyclopent…

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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) 1.79 8.16 -40.52 3 1 1 28 244.383 3 ↓
Hi High (pH 8-9.5) 1.79 7.84 -3.7 2 1 0 26 243.375 3 ↓

Analogs

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Popular Name: (1R)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-phenyl-ethanamine (1R)-1-(5,6-dihydro-4H-cyclopent…

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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) 1.79 8.16 -40.48 3 1 1 28 244.383 3 ↓
Hi High (pH 8-9.5) 1.79 7.86 -3.31 2 1 0 26 243.375 3 ↓

Analogs

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Popular Name: (1S)-2-(2-chlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanamine (1S)-2-(2-chlorophenyl)-1-(5,6-d…

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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) 2.42 8.81 -33.63 3 1 1 28 278.828 3 ↓
Hi High (pH 8-9.5) 2.42 8.57 -3.76 2 1 0 26 277.82 3 ↓

Analogs

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Popular Name: (1R)-2-(2-chlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanamine (1R)-2-(2-chlorophenyl)-1-(5,6-d…

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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) 2.42 8.55 -40.55 3 1 1 28 278.828 3 ↓
Hi High (pH 8-9.5) 2.42 8.24 -4.48 2 1 0 26 277.82 3 ↓

Analogs

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Popular Name: (1S)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(3,4-dimethoxyphenyl)ethanamine (1S)-1-(5,6-dihydro-4H-cyclopent…

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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) 1.43 7.36 -47.65 3 3 1 46 304.435 5 ↓
Hi High (pH 8-9.5) 1.43 7.06 -7.41 2 3 0 44 303.427 5 ↓

Analogs

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Popular Name: (1R)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(3,4-dimethoxyphenyl)ethanamine (1R)-1-(5,6-dihydro-4H-cyclopent…

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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) 1.43 7.37 -46.9 3 3 1 46 304.435 5 ↓
Hi High (pH 8-9.5) 1.43 7.04 -7.51 2 3 0 44 303.427 5 ↓

Analogs

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Popular Name: (1S)-2-(2-chloro-6-fluoro-phenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanamine (1S)-2-(2-chloro-6-fluoro-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) 2.53 8.71 -34.7 3 1 1 28 296.818 3 ↓
Hi High (pH 8-9.5) 2.53 8.4 -3.9 2 1 0 26 295.81 3 ↓

Analogs

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Popular Name: (1R)-2-(2-chloro-6-fluoro-phenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanamine (1R)-2-(2-chloro-6-fluoro-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) 2.53 8.78 -33.88 3 1 1 28 296.818 3 ↓
Hi High (pH 8-9.5) 2.53 8.45 -4.74 2 1 0 26 295.81 3 ↓

Analogs

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Popular Name: (1S)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(2-nitrophenyl)ethanamine (1S)-1-(5,6-dihydro-4H-cyclopent…

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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) 1.70 8.48 -46.86 3 4 1 73 289.38 4 ↓
Hi High (pH 8-9.5) 1.70 8.16 -9.94 2 4 0 72 288.372 4 ↓

Analogs

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Popular Name: (1R)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(2-nitrophenyl)ethanamine (1R)-1-(5,6-dihydro-4H-cyclopent…

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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) 1.70 8.51 -48.1 3 4 1 73 289.38 4 ↓
Hi High (pH 8-9.5) 1.70 8.21 -8.32 2 4 0 72 288.372 4 ↓

Analogs

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Popular Name: (1S)-2-(4-bromophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanamine (1S)-2-(4-bromophenyl)-1-(5,6-di…

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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) 2.60 8.79 -44.78 3 1 1 28 323.279 3 ↓
Hi High (pH 8-9.5) 2.60 8.47 -3.83 2 1 0 26 322.271 3 ↓

Analogs

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Popular Name: (1R)-2-(4-bromophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanamine (1R)-2-(4-bromophenyl)-1-(5,6-di…

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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) 2.60 8.79 -44.84 3 1 1 28 323.279 3 ↓
Hi High (pH 8-9.5) 2.60 8.48 -3.42 2 1 0 26 322.271 3 ↓

Analogs

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Popular Name: (1S)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(4-methoxyphenyl)ethanamine (1S)-1-(5,6-dihydro-4H-cyclopent…

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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) 1.84 7.46 -43.85 3 2 1 37 274.409 4 ↓
Hi High (pH 8-9.5) 1.84 7.16 -4.86 2 2 0 35 273.401 4 ↓

Analogs

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Popular Name: (1R)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(4-methoxyphenyl)ethanamine (1R)-1-(5,6-dihydro-4H-cyclopent…

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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) 1.84 7.46 -43.07 3 2 1 37 274.409 4 ↓
Hi High (pH 8-9.5) 1.84 7.14 -5.1 2 2 0 35 273.401 4 ↓

Analogs

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Popular Name: (1S)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(4-nitrophenyl)ethanamine (1S)-1-(5,6-dihydro-4H-cyclopent…

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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) 1.75 8.88 -56.13 3 4 1 73 289.38 4 ↓
Hi High (pH 8-9.5) 1.75 8.56 -8.31 2 4 0 72 288.372 4 ↓

Analogs

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Popular Name: (1R)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(4-nitrophenyl)ethanamine (1R)-1-(5,6-dihydro-4H-cyclopent…

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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) 1.75 8.88 -56.17 3 4 1 73 289.38 4 ↓
Hi High (pH 8-9.5) 1.75 8.57 -7.73 2 4 0 72 288.372 4 ↓

Analogs

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Popular Name: (1S)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(4-fluorophenyl)ethanamine (1S)-1-(5,6-dihydro-4H-cyclopent…

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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) 1.95 8.23 -45.69 3 1 1 28 262.373 3 ↓
Hi High (pH 8-9.5) 1.95 7.91 -4.5 2 1 0 26 261.365 3 ↓

Analogs

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Popular Name: (1R)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(4-fluorophenyl)ethanamine (1R)-1-(5,6-dihydro-4H-cyclopent…

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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) 1.95 8.23 -45.67 3 1 1 28 262.373 3 ↓
Hi High (pH 8-9.5) 1.95 7.93 -4.16 2 1 0 26 261.365 3 ↓

Analogs

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Popular Name: (1S)-2-(4-chlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanamine (1S)-2-(4-chlorophenyl)-1-(5,6-d…

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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) 2.47 8.68 -44.66 3 1 1 28 278.828 3 ↓
Hi High (pH 8-9.5) 2.47 8.36 -3.93 2 1 0 26 277.82 3 ↓

Analogs

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Popular Name: (1R)-2-(4-chlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanamine (1R)-2-(4-chlorophenyl)-1-(5,6-d…

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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) 2.47 8.68 -44.68 3 1 1 28 278.828 3 ↓
Hi High (pH 8-9.5) 2.47 8.38 -3.48 2 1 0 26 277.82 3 ↓

Analogs

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Popular Name: (1S)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(3-methoxyphenyl)ethanamine (1S)-1-(5,6-dihydro-4H-cyclopent…

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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) 1.82 7.46 -42.66 3 2 1 37 274.409 4 ↓
Hi High (pH 8-9.5) 1.82 7.16 -4.88 2 2 0 35 273.401 4 ↓

Analogs

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Popular Name: (1R)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(3-methoxyphenyl)ethanamine (1R)-1-(5,6-dihydro-4H-cyclopent…

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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) 1.82 7.46 -40.28 3 2 1 37 274.409 4 ↓
Hi High (pH 8-9.5) 1.82 7.14 -4.99 2 2 0 35 273.401 4 ↓

Analogs

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Popular Name: (1S)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(2-methoxyphenyl)ethanamine (1S)-1-(5,6-dihydro-4H-cyclopent…

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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) 1.80 7.92 -34.97 3 2 1 37 274.409 4 ↓
Hi High (pH 8-9.5) 1.80 7.61 -4.34 2 2 0 35 273.401 4 ↓

Analogs

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Popular Name: (1R)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(2-methoxyphenyl)ethanamine (1R)-1-(5,6-dihydro-4H-cyclopent…

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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) 1.80 7.49 -39.35 3 2 1 37 274.409 4 ↓
Hi High (pH 8-9.5) 1.80 7.17 -5.23 2 2 0 35 273.401 4 ↓

Analogs

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Popular Name: (1S)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(3-fluorophenyl)ethanamine (1S)-1-(5,6-dihydro-4H-cyclopent…

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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) 1.93 8.23 -45.46 3 1 1 28 262.373 3 ↓
Hi High (pH 8-9.5) 1.93 7.93 -4.12 2 1 0 26 261.365 3 ↓

Analogs

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Popular Name: (1R)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(3-fluorophenyl)ethanamine (1R)-1-(5,6-dihydro-4H-cyclopent…

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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) 1.93 8.23 -42.69 3 1 1 28 262.373 3 ↓
Hi High (pH 8-9.5) 1.93 7.91 -4.49 2 1 0 26 261.365 3 ↓

Analogs

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Popular Name: (1S)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(2-fluorophenyl)ethanamine (1S)-1-(5,6-dihydro-4H-cyclopent…

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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) 1.90 8.32 -35.33 3 1 1 28 262.373 3 ↓
Hi High (pH 8-9.5) 1.90 8.01 -4.58 2 1 0 26 261.365 3 ↓

Analogs

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Popular Name: (1R)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(2-fluorophenyl)ethanamine (1R)-1-(5,6-dihydro-4H-cyclopent…

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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) 1.90 8.17 -41.66 3 1 1 28 262.373 3 ↓
Hi High (pH 8-9.5) 1.90 7.86 -4.34 2 1 0 26 261.365 3 ↓

Analogs

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Popular Name: (1S)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(o-tolyl)ethanamine (1S)-1-(5,6-dihydro-4H-cyclopent…

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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) 2.19 8.6 -39.9 3 1 1 28 258.41 3 ↓
Hi High (pH 8-9.5) 2.19 8.26 -3.65 2 1 0 26 257.402 3 ↓

Analogs

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Popular Name: (1R)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(o-tolyl)ethanamine (1R)-1-(5,6-dihydro-4H-cyclopent…

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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) 2.19 8.6 -40.34 3 1 1 28 258.41 3 ↓
Hi High (pH 8-9.5) 2.19 8.29 -3.5 2 1 0 26 257.402 3 ↓

Analogs

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Popular Name: (1S)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(p-tolyl)ethanamine (1S)-1-(5,6-dihydro-4H-cyclopent…

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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) 2.24 8.84 -40.56 3 1 1 28 258.41 3 ↓
Hi High (pH 8-9.5) 2.24 8.54 -3.32 2 1 0 26 257.402 3 ↓

Analogs

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Popular Name: (1R)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(p-tolyl)ethanamine (1R)-1-(5,6-dihydro-4H-cyclopent…

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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) 2.24 8.84 -40.53 3 1 1 28 258.41 3 ↓
Hi High (pH 8-9.5) 2.24 8.52 -3.69 2 1 0 26 257.402 3 ↓

Analogs

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Popular Name: (1S)-2-(2-chlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methyl-ethanamine (1S)-2-(2-chlorophenyl)-1-(5,6-d…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.67 10.12 -36.05 2 1 1 17 292.855 4 ↓
Hi High (pH 8-9.5) 4.67 8.87 -3.62 1 1 0 12 291.847 4 ↓

Analogs

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Popular Name: (1R)-2-(2-chlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methyl-ethanamine (1R)-2-(2-chlorophenyl)-1-(5,6-d…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.67 10.33 -35.35 2 1 1 17 292.855 4 ↓
Hi High (pH 8-9.5) 4.67 9.17 -3.33 1 1 0 12 291.847 4 ↓

Analogs

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Popular Name: (1S)-2-(2-chloro-6-fluoro-phenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methyl-ethanamine (1S)-2-(2-chloro-6-fluoro-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) 4.79 10.13 -35.8 2 1 1 17 310.845 4 ↓
Hi High (pH 8-9.5) 4.79 9.16 -4.83 1 1 0 12 309.837 4 ↓

Analogs

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Popular Name: (1R)-2-(2-chloro-6-fluoro-phenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methyl-ethanamine (1R)-2-(2-chloro-6-fluoro-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) 4.79 10.53 -30.13 2 1 1 17 310.845 4 ↓
Hi High (pH 8-9.5) 4.79 9.51 -3.94 1 1 0 12 309.837 4 ↓

Analogs

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Popular Name: (1S)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methyl-2-(2-nitrophenyl)ethanamine (1S)-1-(5,6-dihydro-4H-cyclopent…

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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 10 -39.42 2 4 1 62 303.407 5 ↓
Hi High (pH 8-9.5) 3.95 8.98 -9.67 1 4 0 58 302.399 5 ↓

Analogs

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Popular Name: (1R)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methyl-2-(2-nitrophenyl)ethanamine (1R)-1-(5,6-dihydro-4H-cyclopent…

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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 10.27 -41.73 2 4 1 62 303.407 5 ↓
Hi High (pH 8-9.5) 3.95 9.1 -8.15 1 4 0 58 302.399 5 ↓

Analogs

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Popular Name: (1S)-2-(4-bromophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methyl-ethanamine (1S)-2-(4-bromophenyl)-1-(5,6-di…

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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 10.34 -44.46 2 1 1 17 337.306 4 ↓
Hi High (pH 8-9.5) 4.85 9.26 -3.71 1 1 0 12 336.298 4 ↓

Analogs

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Popular Name: (1R)-2-(4-bromophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methyl-ethanamine (1R)-2-(4-bromophenyl)-1-(5,6-di…

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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 10.55 -39.18 2 1 1 17 337.306 4 ↓
Hi High (pH 8-9.5) 4.85 9.47 -3.15 1 1 0 12 336.298 4 ↓

Analogs

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Popular Name: (1S)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(4-methoxyphenyl)-N-methyl-ethanamine (1S)-1-(5,6-dihydro-4H-cyclopent…

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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) 4.10 9.02 -44.01 2 2 1 26 288.436 5 ↓
Hi High (pH 8-9.5) 4.10 7.94 -4.98 1 2 0 21 287.428 5 ↓

Analogs

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Popular Name: (1R)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(4-methoxyphenyl)-N-methyl-ethanamine (1R)-1-(5,6-dihydro-4H-cyclopent…

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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) 4.10 9.23 -37.63 2 2 1 26 288.436 5 ↓
Hi High (pH 8-9.5) 4.10 8.15 -4.61 1 2 0 21 287.428 5 ↓

Analogs

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Popular Name: (1S)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethyl-2-(4-methoxyphenyl)ethanamine (1S)-1-(5,6-dihydro-4H-cyclopent…

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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) 4.47 9.86 -42.45 2 2 1 26 302.463 6 ↓
Hi High (pH 8-9.5) 4.47 8.88 -4.78 1 2 0 21 301.455 6 ↓

Analogs

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Popular Name: (1R)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethyl-2-(4-methoxyphenyl)ethanamine (1R)-1-(5,6-dihydro-4H-cyclopent…

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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) 4.47 10.08 -35.88 2 2 1 26 302.463 6 ↓
Hi High (pH 8-9.5) 4.47 9.08 -4.38 1 2 0 21 301.455 6 ↓

Analogs

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Popular Name: (1S)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methyl-2-(4-nitrophenyl)ethanamine (1S)-1-(5,6-dihydro-4H-cyclopent…

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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) 4.00 10.43 -55.25 2 4 1 62 303.407 5 ↓
Hi High (pH 8-9.5) 4.00 9.35 -7.92 1 4 0 58 302.399 5 ↓

Analogs

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Popular Name: (1R)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methyl-2-(4-nitrophenyl)ethanamine (1R)-1-(5,6-dihydro-4H-cyclopent…

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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) 4.00 10.64 -50.03 2 4 1 62 303.407 5 ↓
Hi High (pH 8-9.5) 4.00 9.57 -7.25 1 4 0 58 302.399 5 ↓

Parameters Provided:

ring.id = 37750
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 = 37750 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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