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Analogs

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

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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) 3.88 8.46 -37.48 3 2 1 37 282.407 3 ↓
Hi High (pH 8-9.5) 3.88 7.56 -4.62 2 2 0 32 281.399 3 ↓

Analogs

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Popular Name: 4-methyl-2-[(1S)-1-[[(1R)-tetralin-1-yl]amino]ethyl]phenol 4-methyl-2-[(1S)-1-[[(1R)-tetral…

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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) 3.88 7.82 -40.76 3 2 1 37 282.407 3 ↓
Hi High (pH 8-9.5) 3.88 7.37 -3.8 2 2 0 32 281.399 3 ↓

Analogs

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Popular Name: 4-methyl-2-[(1R)-1-[[(1S)-tetralin-1-yl]amino]ethyl]phenol 4-methyl-2-[(1R)-1-[[(1S)-tetral…

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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) 3.88 7.8 -38.4 3 2 1 37 282.407 3 ↓
Hi High (pH 8-9.5) 3.88 7.77 -4.76 2 2 0 32 281.399 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 3.88 8.49 -38.45 3 2 1 37 282.407 3 ↓
Hi High (pH 8-9.5) 3.88 7.71 -3.93 2 2 0 32 281.399 3 ↓

Analogs

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Popular Name: (1R)-N-[(1R)-1-(2,5-dichlorophenyl)ethyl]tetralin-1-amine (1R)-N-[(1R)-1-(2,5-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) 4.80 11.65 -37.98 2 1 1 17 321.271 3 ↓
Mid Mid (pH 6-8) 4.80 10.59 -2.77 1 1 0 12 320.263 3 ↓

Analogs

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Popular Name: (1R)-N-[(1S)-1-(2,5-dichlorophenyl)ethyl]tetralin-1-amine (1R)-N-[(1S)-1-(2,5-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) 4.80 11.5 -38.4 2 1 1 17 321.271 3 ↓
Mid Mid (pH 6-8) 4.80 10.44 -2.01 1 1 0 12 320.263 3 ↓

Analogs

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Popular Name: (1S)-N-[(1R)-1-(2,5-dichlorophenyl)ethyl]tetralin-1-amine (1S)-N-[(1R)-1-(2,5-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) 4.80 11.46 -38.48 2 1 1 17 321.271 3 ↓
Mid Mid (pH 6-8) 4.80 10.55 -3.47 1 1 0 12 320.263 3 ↓

Analogs

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Popular Name: (1S)-N-[(1S)-1-(2,5-dichlorophenyl)ethyl]tetralin-1-amine (1S)-N-[(1S)-1-(2,5-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) 4.80 11.62 -38.06 2 1 1 17 321.271 3 ↓
Mid Mid (pH 6-8) 4.80 10.68 -2.09 1 1 0 12 320.263 3 ↓

Analogs

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Popular Name: (1R)-N-[(1R)-1-(4-fluorophenyl)propyl]tetralin-1-amine (1R)-N-[(1R)-1-(4-fluorophenyl)p…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.28 11.07 -40.83 2 1 1 17 284.398 4 ↓
Hi High (pH 8-9.5) 3.28 10.1 -2.86 1 1 0 12 283.39 4 ↓

Analogs

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Popular Name: (1R)-N-[(1S)-1-(4-fluorophenyl)propyl]tetralin-1-amine (1R)-N-[(1S)-1-(4-fluorophenyl)p…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.28 10.94 -42.4 2 1 1 17 284.398 4 ↓
Hi High (pH 8-9.5) 3.28 9.8 -2.56 1 1 0 12 283.39 4 ↓

Analogs

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Popular Name: (1S)-N-[(1R)-1-(4-fluorophenyl)propyl]tetralin-1-amine (1S)-N-[(1R)-1-(4-fluorophenyl)p…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.28 10.94 -42.37 2 1 1 17 284.398 4 ↓
Hi High (pH 8-9.5) 3.28 9.99 -4.52 1 1 0 12 283.39 4 ↓

Analogs

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Popular Name: (1S)-N-[(1S)-1-(4-fluorophenyl)propyl]tetralin-1-amine (1S)-N-[(1S)-1-(4-fluorophenyl)p…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.28 11.12 -40.51 2 1 1 17 284.398 4 ↓
Hi High (pH 8-9.5) 3.28 10.15 -3.82 1 1 0 12 283.39 4 ↓

Analogs

48278964
48278964
48278966
48278966
6504674
6504674
6504675
6504675

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Popular Name: 2-[[[(1S)-tetralin-1-yl]amino]methyl]benzamide 2-[[[(1S)-tetralin-1-yl]amino]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) 1.73 6.77 -31.98 4 3 1 60 281.379 4 ↓
Hi High (pH 8-9.5) 1.73 5.67 -8.12 3 3 0 55 280.371 4 ↓

Analogs

48278964
48278964
48278966
48278966
6504674
6504674
6504675
6504675

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[[(1R)-tetralin-1-yl]amino]methyl]benzamide 2-[[[(1R)-tetralin-1-yl]amino]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) 1.73 6.8 -30.84 4 3 1 60 281.379 4 ↓
Hi High (pH 8-9.5) 1.73 5.68 -8.3 3 3 0 55 280.371 4 ↓

Analogs

25259581
25259581
25259585
25259585

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Popular Name: (4-methoxybenzyl)1,2,3,4-tetrahydronaphthalen-1-ylamine (4-methoxybenzyl)1,2,3,4-tetrahy…

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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) 3.01 0.24 -43.07 2 2 1 25 268.38 4 ↓

Analogs

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Popular Name: (2S)-2-phenyl-2-[[(1R)-tetralin-1-yl]amino]ethanol (2S)-2-phenyl-2-[[(1R)-tetralin-…

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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) 2.51 7.43 -36.16 3 2 1 37 268.38 4 ↓
Hi High (pH 8-9.5) 2.51 6.44 -4.79 2 2 0 32 267.372 4 ↓

Analogs

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Popular Name: (2R)-2-phenyl-2-[[(1R)-tetralin-1-yl]amino]ethanol (2R)-2-phenyl-2-[[(1R)-tetralin-…

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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) 2.51 7.18 -34.93 3 2 1 37 268.38 4 ↓
Hi High (pH 8-9.5) 2.51 6.21 -4.72 2 2 0 32 267.372 4 ↓

Analogs

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Popular Name: (2S)-2-phenyl-2-[[(1S)-tetralin-1-yl]amino]ethanol (2S)-2-phenyl-2-[[(1S)-tetralin-…

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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) 2.51 7.11 -35.01 3 2 1 37 268.38 4 ↓
Hi High (pH 8-9.5) 2.51 6.6 -4.67 2 2 0 32 267.372 4 ↓

Analogs

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Popular Name: (1R)-1-[[(1S)-2-hydroxy-1-phenyl-ethyl]amino]tetralin-6-ol (1R)-1-[[(1S)-2-hydroxy-1-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) 2.00 4.57 -40 4 3 1 57 284.379 4 ↓
Hi High (pH 8-9.5) 2.00 3.59 -6.23 3 3 0 52 283.371 4 ↓

Analogs

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Popular Name: (1R)-1-[[(1R)-2-hydroxy-1-phenyl-ethyl]amino]tetralin-6-ol (1R)-1-[[(1R)-2-hydroxy-1-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) 2.00 4.31 -38.79 4 3 1 57 284.379 4 ↓
Hi High (pH 8-9.5) 2.00 3.36 -6.18 3 3 0 52 283.371 4 ↓

Analogs

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Popular Name: (1S)-1-[[(1S)-2-hydroxy-1-phenyl-ethyl]amino]tetralin-6-ol (1S)-1-[[(1S)-2-hydroxy-1-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) 2.00 4.26 -38.22 4 3 1 57 284.379 4 ↓
Hi High (pH 8-9.5) 2.00 3.76 -6.54 3 3 0 52 283.371 4 ↓

Analogs

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Popular Name: (1S)-1-[[(1R)-2-hydroxy-1-phenyl-ethyl]amino]tetralin-6-ol (1S)-1-[[(1R)-2-hydroxy-1-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) 2.00 4.57 -39.83 4 3 1 57 284.379 4 ↓
Hi High (pH 8-9.5) 2.00 3.75 -5.86 3 3 0 52 283.371 4 ↓

Analogs

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Popular Name: (3R)-3-phenyl-3-[[(1R)-tetralin-1-yl]amino]propanenitrile (3R)-3-phenyl-3-[[(1R)-tetralin-…

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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 9.89 -7.13 1 2 0 36 276.383 4 ↓
Mid Mid (pH 6-8) 1.70 10.56 -44.6 2 2 1 40 277.391 4 ↓

Analogs

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Popular Name: (3S)-3-phenyl-3-[[(1R)-tetralin-1-yl]amino]propanenitrile (3S)-3-phenyl-3-[[(1R)-tetralin-…

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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 9.63 -5.95 1 2 0 36 276.383 4 ↓
Mid Mid (pH 6-8) 1.70 10.49 -43.29 2 2 1 40 277.391 4 ↓

Analogs

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Popular Name: (3R)-3-phenyl-3-[[(1S)-tetralin-1-yl]amino]propanenitrile (3R)-3-phenyl-3-[[(1S)-tetralin-…

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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 9.89 -6.68 1 2 0 36 276.383 4 ↓
Mid Mid (pH 6-8) 1.70 9.92 -46.06 2 2 1 40 277.391 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-phenyl-3-[[(1S)-tetralin-1-yl]amino]propanenitrile (3S)-3-phenyl-3-[[(1S)-tetralin-…

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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 10.12 -6.87 1 2 0 36 276.383 4 ↓
Mid Mid (pH 6-8) 1.70 10.57 -44.52 2 2 1 40 277.391 4 ↓

Analogs

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Popular Name: 2-bromo-6-[[[(1S)-tetralin-1-yl]amino]methyl]phenol 2-bromo-6-[[[(1S)-tetralin-1-yl]…

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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) 3.45 7.76 -42.6 3 2 1 37 333.249 3 ↓
Hi High (pH 8-9.5) 3.45 8.52 -29.88 2 2 0 40 332.241 3 ↓
Hi High (pH 8-9.5) 3.45 7.27 -41.77 1 2 -1 35 331.233 3 ↓

Analogs

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Popular Name: 2-bromo-6-[[[(1R)-tetralin-1-yl]amino]methyl]phenol 2-bromo-6-[[[(1R)-tetralin-1-yl]…

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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) 3.45 7.78 -41.56 3 2 1 37 333.249 3 ↓
Hi High (pH 8-9.5) 3.45 8.53 -28.91 2 2 0 40 332.241 3 ↓
Hi High (pH 8-9.5) 3.45 7.57 -42.96 1 2 -1 35 331.233 3 ↓

Analogs

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Popular Name: (1R)-N-[(1S)-1-(4-iodophenyl)ethyl]tetralin-1-amine (1R)-N-[(1S)-1-(4-iodophenyl)eth…

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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) 4.60 10.95 -42.07 2 1 1 17 378.277 3 ↓
Hi High (pH 8-9.5) 4.60 10.51 -2.4 1 1 0 12 377.269 3 ↓

Analogs

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Popular Name: (1R)-N-[(1R)-1-(4-iodophenyl)ethyl]tetralin-1-amine (1R)-N-[(1R)-1-(4-iodophenyl)eth…

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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) 4.60 11.6 -41.8 2 1 1 17 378.277 3 ↓
Hi High (pH 8-9.5) 4.60 10.62 -2.92 1 1 0 12 377.269 3 ↓

Analogs

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Popular Name: (1S)-N-[(1S)-1-(4-iodophenyl)ethyl]tetralin-1-amine (1S)-N-[(1S)-1-(4-iodophenyl)eth…

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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) 4.60 11.62 -41.82 2 1 1 17 378.277 3 ↓
Hi High (pH 8-9.5) 4.60 10.88 -2.09 1 1 0 12 377.269 3 ↓

Analogs

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Popular Name: (1S)-N-[(1R)-1-(4-iodophenyl)ethyl]tetralin-1-amine (1S)-N-[(1R)-1-(4-iodophenyl)eth…

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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) 4.60 10.97 -42.03 2 1 1 17 378.277 3 ↓
Hi High (pH 8-9.5) 4.60 10.83 -2.98 1 1 0 12 377.269 3 ↓

Analogs

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Popular Name: (1R)-N-[(1R)-1-(m-tolyl)ethyl]tetralin-1-amine (1R)-N-[(1R)-1-(m-tolyl)ethyl]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) 3.94 11.17 -37.09 2 1 1 17 266.408 3 ↓
Hi High (pH 8-9.5) 3.94 10.18 -3.15 1 1 0 12 265.4 3 ↓

Analogs

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Popular Name: (1R)-N-[(1S)-1-(m-tolyl)ethyl]tetralin-1-amine (1R)-N-[(1S)-1-(m-tolyl)ethyl]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) 3.94 10.52 -37.76 2 1 1 17 266.408 3 ↓
Hi High (pH 8-9.5) 3.94 10.07 -2.76 1 1 0 12 265.4 3 ↓

Analogs

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Popular Name: (1S)-N-[(1R)-1-(m-tolyl)ethyl]tetralin-1-amine (1S)-N-[(1R)-1-(m-tolyl)ethyl]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) 3.94 10.53 -37.72 2 1 1 17 266.408 3 ↓
Hi High (pH 8-9.5) 3.94 10.4 -3.07 1 1 0 12 265.4 3 ↓

Analogs

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Popular Name: (1S)-N-[(1S)-1-(m-tolyl)ethyl]tetralin-1-amine (1S)-N-[(1S)-1-(m-tolyl)ethyl]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) 3.94 11.19 -37.13 2 1 1 17 266.408 3 ↓
Hi High (pH 8-9.5) 3.94 10.45 -2.25 1 1 0 12 265.4 3 ↓

Analogs

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Popular Name: (1R)-N-[(1S)-1-(3-bromophenyl)propyl]tetralin-1-amine (1R)-N-[(1S)-1-(3-bromophenyl)pr…

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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) 3.90 11.87 -38.45 2 1 1 17 345.304 4 ↓
Hi High (pH 8-9.5) 3.90 10.89 -2.85 1 1 0 12 344.296 4 ↓

Analogs

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Popular Name: (1R)-N-[(1R)-1-(3-bromophenyl)propyl]tetralin-1-amine (1R)-N-[(1R)-1-(3-bromophenyl)pr…

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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) 3.90 11.52 -38.5 2 1 1 17 345.304 4 ↓
Hi High (pH 8-9.5) 3.90 10.83 -2.41 1 1 0 12 344.296 4 ↓

Analogs

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Popular Name: (1S)-N-[(1S)-1-(3-bromophenyl)propyl]tetralin-1-amine (1S)-N-[(1S)-1-(3-bromophenyl)pr…

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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) 3.90 11.52 -38.49 2 1 1 17 345.304 4 ↓
Hi High (pH 8-9.5) 3.90 11.03 -2.19 1 1 0 12 344.296 4 ↓

Analogs

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Popular Name: (1S)-N-[(1R)-1-(3-bromophenyl)propyl]tetralin-1-amine (1S)-N-[(1R)-1-(3-bromophenyl)pr…

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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) 3.90 11.84 -38.51 2 1 1 17 345.304 4 ↓
Hi High (pH 8-9.5) 3.90 11.19 -2.47 1 1 0 12 344.296 4 ↓

Analogs

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Popular Name: (1R)-N-[(1S)-1-(2-chloro-4-fluoro-phenyl)ethyl]tetralin-1-amine (1R)-N-[(1S)-1-(2-chloro-4-fluor…

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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) 4.29 10.38 -43.85 2 1 1 17 304.816 3 ↓
Hi High (pH 8-9.5) 4.29 9.94 -2.4 1 1 0 12 303.808 3 ↓

Analogs

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Popular Name: (1R)-N-[(1R)-1-(2-chloro-4-fluoro-phenyl)ethyl]tetralin-1-amine (1R)-N-[(1R)-1-(2-chloro-4-fluor…

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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) 4.29 11.05 -41.32 2 1 1 17 304.816 3 ↓
Hi High (pH 8-9.5) 4.29 10.16 -2.98 1 1 0 12 303.808 3 ↓

Analogs

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Popular Name: (1S)-N-[(1S)-1-(2-chloro-4-fluoro-phenyl)ethyl]tetralin-1-amine (1S)-N-[(1S)-1-(2-chloro-4-fluor…

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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) 4.29 11.04 -41.61 2 1 1 17 304.816 3 ↓
Hi High (pH 8-9.5) 4.29 10.27 -2.38 1 1 0 12 303.808 3 ↓

Analogs

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Popular Name: (1S)-N-[(1R)-1-(2-chloro-4-fluoro-phenyl)ethyl]tetralin-1-amine (1S)-N-[(1R)-1-(2-chloro-4-fluor…

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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) 4.29 10.41 -43.42 2 1 1 17 304.816 3 ↓
Hi High (pH 8-9.5) 4.29 10.37 -3.27 1 1 0 12 303.808 3 ↓

Analogs

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Popular Name: (1R)-N-[(1S)-1-(3-bromo-4-fluoro-phenyl)ethyl]tetralin-1-amine (1R)-N-[(1S)-1-(3-bromo-4-fluoro…

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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) 4.42 10.51 -46.95 2 1 1 17 349.267 3 ↓
Hi High (pH 8-9.5) 4.42 10.06 -3.54 1 1 0 12 348.259 3 ↓

Analogs

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Popular Name: (1R)-N-[(1R)-1-(3-bromo-4-fluoro-phenyl)ethyl]tetralin-1-amine (1R)-N-[(1R)-1-(3-bromo-4-fluoro…

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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) 4.42 11.16 -46.46 2 1 1 17 349.267 3 ↓
Hi High (pH 8-9.5) 4.42 10.17 -4.2 1 1 0 12 348.259 3 ↓

Analogs

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Popular Name: (1S)-N-[(1S)-1-(3-bromo-4-fluoro-phenyl)ethyl]tetralin-1-amine (1S)-N-[(1S)-1-(3-bromo-4-fluoro…

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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) 4.42 11.18 -46.6 2 1 1 17 349.267 3 ↓
Hi High (pH 8-9.5) 4.42 10.44 -3.34 1 1 0 12 348.259 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-[(1R)-1-(3-bromo-4-fluoro-phenyl)ethyl]tetralin-1-amine (1S)-N-[(1R)-1-(3-bromo-4-fluoro…

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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) 4.42 10.52 -46.92 2 1 1 17 349.267 3 ↓
Hi High (pH 8-9.5) 4.42 10.39 -4.4 1 1 0 12 348.259 3 ↓

Analogs

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Popular Name: 3-[(1S)-1-[[(1R)-tetralin-1-yl]amino]ethyl]benzonitrile 3-[(1S)-1-[[(1R)-tetralin-1-yl]a…

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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 10.23 -49.08 2 2 1 40 277.391 3 ↓
Hi High (pH 8-9.5) 3.25 9.79 -5.54 1 2 0 36 276.383 3 ↓

Analogs

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Popular Name: 3-[(1R)-1-[[(1R)-tetralin-1-yl]amino]ethyl]benzonitrile 3-[(1R)-1-[[(1R)-tetralin-1-yl]a…

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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 10.88 -48.18 2 2 1 40 277.391 3 ↓
Hi High (pH 8-9.5) 3.25 9.9 -5.79 1 2 0 36 276.383 3 ↓

Parameters Provided:

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

SQL Query Was

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