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Analogs

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Popular Name: N-methyl-1-[(1S)-1-(2-thienylmethyl)tetralin-1-yl]methanamine N-methyl-1-[(1S)-1-(2-thienylmet…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.25 10 -39.94 2 1 1 17 272.437 4 ↓

Analogs

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Popular Name: N-methyl-1-[(1R)-1-(2-thienylmethyl)tetralin-1-yl]methanamine N-methyl-1-[(1R)-1-(2-thienylmet…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.25 9.52 -45.75 2 1 1 17 272.437 4 ↓

Analogs

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Popular Name: 1-[(1S)-1-[(5-chloro-2-thienyl)methyl]tetralin-1-yl]-N-methyl-methanamine 1-[(1S)-1-[(5-chloro-2-thienyl)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) 5.05 10.62 -43.38 2 1 1 17 306.882 4 ↓

Analogs

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Popular Name: 1-[(1R)-1-[(5-chloro-2-thienyl)methyl]tetralin-1-yl]-N-methyl-methanamine 1-[(1R)-1-[(5-chloro-2-thienyl)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) 5.05 10.15 -49.34 2 1 1 17 306.882 4 ↓

Analogs

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Popular Name: N-[[(1S)-1-(2-thienylmethyl)tetralin-1-yl]methyl]ethanamine N-[[(1S)-1-(2-thienylmethyl)tetr…

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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) 4.27 10.84 -38 2 1 1 17 286.464 5 ↓

Analogs

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Popular Name: N-[[(1R)-1-(2-thienylmethyl)tetralin-1-yl]methyl]ethanamine N-[[(1R)-1-(2-thienylmethyl)tetr…

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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) 4.27 10.37 -43.87 2 1 1 17 286.464 5 ↓

Analogs

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Popular Name: (S)-[(1S)-tetralin-1-yl]-(2-thienyl)methanamine (S)-[(1S)-tetralin-1-yl]-(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) 1.70 7.21 -48.4 3 1 1 28 244.383 2 ↓
Mid Mid (pH 6-8) 1.70 6.89 -3.58 2 1 0 26 243.375 2 ↓

Analogs

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Popular Name: (S)-[(1R)-tetralin-1-yl]-(2-thienyl)methanamine (S)-[(1R)-tetralin-1-yl]-(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) 1.70 7.5 -38.88 3 1 1 28 244.383 2 ↓
Mid Mid (pH 6-8) 1.70 7.17 -2.67 2 1 0 26 243.375 2 ↓

Analogs

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Popular Name: (R)-[(1S)-tetralin-1-yl]-(2-thienyl)methanamine (R)-[(1S)-tetralin-1-yl]-(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) 1.70 7.51 -38.9 3 1 1 28 244.383 2 ↓
Mid Mid (pH 6-8) 1.70 7.21 -2.77 2 1 0 26 243.375 2 ↓

Analogs

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Popular Name: (R)-[(1R)-tetralin-1-yl]-(2-thienyl)methanamine (R)-[(1R)-tetralin-1-yl]-(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) 1.70 7.23 -48.39 3 1 1 28 244.383 2 ↓
Mid Mid (pH 6-8) 1.70 6.89 -2.65 2 1 0 26 243.375 2 ↓

Analogs

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Popular Name: (R)-(5-methyl-2-thienyl)-[(1R)-tetralin-1-yl]methanamine (R)-(5-methyl-2-thienyl)-[(1R)-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) 1.92 8.05 -48.29 3 1 1 28 258.41 2 ↓
Mid Mid (pH 6-8) 1.92 7.72 -2.86 2 1 0 26 257.402 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(5-methyl-2-thienyl)-[(1R)-tetralin-1-yl]methanamine (S)-(5-methyl-2-thienyl)-[(1R)-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) 1.92 8.33 -38.63 3 1 1 28 258.41 2 ↓
Mid Mid (pH 6-8) 1.92 8.01 -2.91 2 1 0 26 257.402 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(5-methyl-2-thienyl)-[(1S)-tetralin-1-yl]methanamine (R)-(5-methyl-2-thienyl)-[(1S)-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) 1.92 8.33 -38.62 3 1 1 28 258.41 2 ↓
Mid Mid (pH 6-8) 1.92 8.01 -2.95 2 1 0 26 257.402 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(5-methyl-2-thienyl)-[(1S)-tetralin-1-yl]methanamine (S)-(5-methyl-2-thienyl)-[(1S)-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) 1.92 8.05 -48.24 3 1 1 28 258.41 2 ↓
Mid Mid (pH 6-8) 1.92 7.72 -3.83 2 1 0 26 257.402 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(5-ethyl-2-thienyl)-[(1R)-tetralin-1-yl]methanamine (R)-(5-ethyl-2-thienyl)-[(1R)-te…

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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) 2.50 8.84 -48.23 3 1 1 28 272.437 3 ↓
Mid Mid (pH 6-8) 2.50 8.51 -3.62 2 1 0 26 271.429 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(5-ethyl-2-thienyl)-[(1R)-tetralin-1-yl]methanamine (S)-(5-ethyl-2-thienyl)-[(1R)-te…

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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) 2.50 9.12 -38.68 3 1 1 28 272.437 3 ↓
Mid Mid (pH 6-8) 2.50 8.82 -2.76 2 1 0 26 271.429 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(5-ethyl-2-thienyl)-[(1S)-tetralin-1-yl]methanamine (R)-(5-ethyl-2-thienyl)-[(1S)-te…

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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) 2.50 9.12 -38.62 3 1 1 28 272.437 3 ↓
Mid Mid (pH 6-8) 2.50 8.79 -2.73 2 1 0 26 271.429 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(5-ethyl-2-thienyl)-[(1S)-tetralin-1-yl]methanamine (S)-(5-ethyl-2-thienyl)-[(1S)-te…

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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) 2.50 8.83 -48.26 3 1 1 28 272.437 3 ↓
Mid Mid (pH 6-8) 2.50 8.51 -2.71 2 1 0 26 271.429 3 ↓

Analogs

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Popular Name: (S)-(5-chloro-2-thienyl)-[(1S)-tetralin-1-yl]methanamine (S)-(5-chloro-2-thienyl)-[(1S)-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) 2.50 7.84 -52.45 3 1 1 28 278.828 2 ↓
Mid Mid (pH 6-8) 2.50 7.51 -2.56 2 1 0 26 277.82 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(5-chloro-2-thienyl)-[(1R)-tetralin-1-yl]methanamine (S)-(5-chloro-2-thienyl)-[(1R)-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) 2.50 8.12 -42.75 3 1 1 28 278.828 2 ↓
Mid Mid (pH 6-8) 2.50 7.81 -2.67 2 1 0 26 277.82 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(5-chloro-2-thienyl)-[(1S)-tetralin-1-yl]methanamine (R)-(5-chloro-2-thienyl)-[(1S)-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) 2.50 8.13 -42.72 3 1 1 28 278.828 2 ↓
Mid Mid (pH 6-8) 2.50 7.8 -2.42 2 1 0 26 277.82 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(5-chloro-2-thienyl)-[(1R)-tetralin-1-yl]methanamine (R)-(5-chloro-2-thienyl)-[(1R)-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) 2.50 7.86 -52.43 3 1 1 28 278.828 2 ↓
Mid Mid (pH 6-8) 2.50 7.52 -3.44 2 1 0 26 277.82 2 ↓

Analogs

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Popular Name: (1R)-N-methyl-1-(5-methyl-2-thienyl)-1-[(1R)-tetralin-1-yl]methanamine (1R)-N-methyl-1-(5-methyl-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) 4.18 9.83 -42.39 2 1 1 17 272.437 3 ↓
Hi High (pH 8-9.5) 4.18 8.69 -3.68 1 1 0 12 271.429 3 ↓

Analogs

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Popular Name: (1S)-N-methyl-1-(5-methyl-2-thienyl)-1-[(1R)-tetralin-1-yl]methanamine (1S)-N-methyl-1-(5-methyl-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) 4.18 9.61 -33.85 2 1 1 17 272.437 3 ↓
Hi High (pH 8-9.5) 4.18 8.06 -4.1 1 1 0 12 271.429 3 ↓

Analogs

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Popular Name: (1R)-N-methyl-1-(5-methyl-2-thienyl)-1-[(1S)-tetralin-1-yl]methanamine (1R)-N-methyl-1-(5-methyl-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) 4.18 10.17 -33.7 2 1 1 17 272.437 3 ↓
Hi High (pH 8-9.5) 4.18 8.25 -3.03 1 1 0 12 271.429 3 ↓

Analogs

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Popular Name: (1S)-N-methyl-1-(5-methyl-2-thienyl)-1-[(1S)-tetralin-1-yl]methanamine (1S)-N-methyl-1-(5-methyl-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) 4.18 9.8 -41.71 2 1 1 17 272.437 3 ↓
Hi High (pH 8-9.5) 4.18 8.68 -2.76 1 1 0 12 271.429 3 ↓

Analogs

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Popular Name: (1R)-N-methyl-1-[(1R)-tetralin-1-yl]-1-(2-thienyl)methanamine (1R)-N-methyl-1-[(1R)-tetralin-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) 3.95 9 -42.57 2 1 1 17 258.41 3 ↓
Hi High (pH 8-9.5) 3.95 7.82 -2.55 1 1 0 12 257.402 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-methyl-1-[(1R)-tetralin-1-yl]-1-(2-thienyl)methanamine (1S)-N-methyl-1-[(1R)-tetralin-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) 3.95 8.78 -34.13 2 1 1 17 258.41 3 ↓
Hi High (pH 8-9.5) 3.95 7.43 -2.85 1 1 0 12 257.402 3 ↓

Analogs

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Popular Name: (1R)-N-methyl-1-[(1S)-tetralin-1-yl]-1-(2-thienyl)methanamine (1R)-N-methyl-1-[(1S)-tetralin-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) 3.95 9.33 -33.87 2 1 1 17 258.41 3 ↓
Hi High (pH 8-9.5) 3.95 7.25 -3.86 1 1 0 12 257.402 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-methyl-1-[(1S)-tetralin-1-yl]-1-(2-thienyl)methanamine (1S)-N-methyl-1-[(1S)-tetralin-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) 3.95 8.95 -41.88 2 1 1 17 258.41 3 ↓
Hi High (pH 8-9.5) 3.95 7.85 -3.31 1 1 0 12 257.402 3 ↓

Analogs

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Popular Name: (1R)-1-(5-chloro-2-thienyl)-N-methyl-1-[(1R)-tetralin-1-yl]methanamine (1R)-1-(5-chloro-2-thienyl)-N-me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.76 9.62 -46.37 2 1 1 17 292.855 3 ↓
Hi High (pH 8-9.5) 4.76 8.44 -2.27 1 1 0 12 291.847 3 ↓

Analogs

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Popular Name: (1S)-1-(5-chloro-2-thienyl)-N-methyl-1-[(1R)-tetralin-1-yl]methanamine (1S)-1-(5-chloro-2-thienyl)-N-me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.76 9.41 -37.63 2 1 1 17 292.855 3 ↓
Hi High (pH 8-9.5) 4.76 8.06 -2.48 1 1 0 12 291.847 3 ↓

Analogs

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Popular Name: (1R)-1-(5-chloro-2-thienyl)-N-methyl-1-[(1S)-tetralin-1-yl]methanamine (1R)-1-(5-chloro-2-thienyl)-N-me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.76 9.96 -37.35 2 1 1 17 292.855 3 ↓
Hi High (pH 8-9.5) 4.76 7.87 -3.4 1 1 0 12 291.847 3 ↓

Analogs

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Popular Name: (1S)-1-(5-chloro-2-thienyl)-N-methyl-1-[(1S)-tetralin-1-yl]methanamine (1S)-1-(5-chloro-2-thienyl)-N-me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.76 9.57 -45.5 2 1 1 17 292.855 3 ↓
Hi High (pH 8-9.5) 4.76 8.47 -3.17 1 1 0 12 291.847 3 ↓

Analogs

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Popular Name: N-[(R)-[(1R)-tetralin-1-yl]-(2-thienyl)methyl]ethanamine N-[(R)-[(1R)-tetralin-1-yl]-(2-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) 4.33 9.85 -40.61 2 1 1 17 272.437 4 ↓
Hi High (pH 8-9.5) 4.33 8.77 -2.32 1 1 0 12 271.429 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-[(1R)-tetralin-1-yl]-(2-thienyl)methyl]ethanamine N-[(S)-[(1R)-tetralin-1-yl]-(2-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) 4.33 10.15 -32.15 2 1 1 17 272.437 4 ↓
Hi High (pH 8-9.5) 4.33 9.16 -2.2 1 1 0 12 271.429 4 ↓

Analogs

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Popular Name: N-[(R)-[(1S)-tetralin-1-yl]-(2-thienyl)methyl]ethanamine N-[(R)-[(1S)-tetralin-1-yl]-(2-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) 4.33 10.16 -32.25 2 1 1 17 272.437 4 ↓
Hi High (pH 8-9.5) 4.33 9.18 -2.45 1 1 0 12 271.429 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-[(1S)-tetralin-1-yl]-(2-thienyl)methyl]ethanamine N-[(S)-[(1S)-tetralin-1-yl]-(2-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) 4.33 9.86 -40.62 2 1 1 17 272.437 4 ↓
Hi High (pH 8-9.5) 4.33 8.77 -3.16 1 1 0 12 271.429 4 ↓

Analogs

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Popular Name: (S)-(5-bromo-2-thienyl)-[(1S)-tetralin-1-yl]methanamine (S)-(5-bromo-2-thienyl)-[(1S)-te…

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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) 2.63 7.94 -52.56 3 1 1 28 323.279 2 ↓
Mid Mid (pH 6-8) 2.63 7.62 -2.57 2 1 0 26 322.271 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(5-bromo-2-thienyl)-[(1R)-tetralin-1-yl]methanamine (S)-(5-bromo-2-thienyl)-[(1R)-te…

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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) 2.63 8.22 -42.81 3 1 1 28 323.279 2 ↓
Mid Mid (pH 6-8) 2.63 7.91 -2.69 2 1 0 26 322.271 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(5-bromo-2-thienyl)-[(1S)-tetralin-1-yl]methanamine (R)-(5-bromo-2-thienyl)-[(1S)-te…

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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) 2.63 8.24 -42.85 3 1 1 28 323.279 2 ↓
Mid Mid (pH 6-8) 2.63 7.91 -2.48 2 1 0 26 322.271 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(5-bromo-2-thienyl)-[(1R)-tetralin-1-yl]methanamine (R)-(5-bromo-2-thienyl)-[(1R)-te…

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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) 2.63 7.96 -52.49 3 1 1 28 323.279 2 ↓
Mid Mid (pH 6-8) 2.63 7.62 -3.48 2 1 0 26 322.271 2 ↓

Analogs

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Popular Name: (R)-(3-methyl-2-thienyl)-[(1R)-tetralin-1-yl]methanamine (R)-(3-methyl-2-thienyl)-[(1R)-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) 2.08 7.48 -48.28 3 1 1 28 258.41 2 ↓
Mid Mid (pH 6-8) 2.08 8.23 -2.75 2 1 0 26 257.402 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(3-methyl-2-thienyl)-[(1R)-tetralin-1-yl]methanamine (S)-(3-methyl-2-thienyl)-[(1R)-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) 2.08 8.03 -38.44 3 1 1 28 258.41 2 ↓
Mid Mid (pH 6-8) 2.08 7.7 -2.81 2 1 0 26 257.402 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(3-methyl-2-thienyl)-[(1S)-tetralin-1-yl]methanamine (R)-(3-methyl-2-thienyl)-[(1S)-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) 2.08 8.04 -38.34 3 1 1 28 258.41 2 ↓
Mid Mid (pH 6-8) 2.08 7.74 -2.8 2 1 0 26 257.402 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(3-methyl-2-thienyl)-[(1S)-tetralin-1-yl]methanamine (S)-(3-methyl-2-thienyl)-[(1S)-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) 2.08 7.4 -48.28 3 1 1 28 258.41 2 ↓
Mid Mid (pH 6-8) 2.08 7.07 -3.68 2 1 0 26 257.402 2 ↓

Analogs

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Popular Name: (1R)-N-methyl-1-(3-methyl-2-thienyl)-1-[(1R)-tetralin-1-yl]methanamine (1R)-N-methyl-1-(3-methyl-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) 4.33 9.28 -42.55 2 1 1 17 272.437 3 ↓
Hi High (pH 8-9.5) 4.33 8.11 -3.66 1 1 0 12 271.429 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-methyl-1-(3-methyl-2-thienyl)-1-[(1R)-tetralin-1-yl]methanamine (1S)-N-methyl-1-(3-methyl-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) 4.33 9.29 -33.7 2 1 1 17 272.437 3 ↓
Hi High (pH 8-9.5) 4.33 7.9 -3.7 1 1 0 12 271.429 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-methyl-1-(3-methyl-2-thienyl)-1-[(1S)-tetralin-1-yl]methanamine (1R)-N-methyl-1-(3-methyl-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) 4.33 9.86 -33.38 2 1 1 17 272.437 3 ↓
Hi High (pH 8-9.5) 4.33 8.1 -2.8 1 1 0 12 271.429 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-methyl-1-(3-methyl-2-thienyl)-1-[(1S)-tetralin-1-yl]methanamine (1S)-N-methyl-1-(3-methyl-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) 4.33 9.11 -41.57 2 1 1 17 272.437 3 ↓
Hi High (pH 8-9.5) 4.33 7.95 -2.67 1 1 0 12 271.429 3 ↓

Parameters Provided:

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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 = 134573 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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