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Analogs

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Popular Name: (R)-(1-methylimidazol-2-yl)-[(1R)-tetralin-1-yl]methanol (R)-(1-methylimidazol-2-yl)-[(1R…

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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) 1.66 6.04 -6.79 1 3 0 38 242.322 2 ↓
Mid Mid (pH 6-8) 1.66 6.58 -33.4 2 3 1 39 243.33 2 ↓

Analogs

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Popular Name: (S)-(1-methylimidazol-2-yl)-[(1R)-tetralin-1-yl]methanol (S)-(1-methylimidazol-2-yl)-[(1R…

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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) 1.66 6.39 -7.18 1 3 0 38 242.322 2 ↓
Mid Mid (pH 6-8) 1.66 6.87 -33.48 2 3 1 39 243.33 2 ↓

Analogs

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Popular Name: (R)-(1-methylimidazol-2-yl)-[(1S)-tetralin-1-yl]methanol (R)-(1-methylimidazol-2-yl)-[(1S…

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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) 1.66 6.41 -7.15 1 3 0 38 242.322 2 ↓
Mid Mid (pH 6-8) 1.66 6.91 -33.33 2 3 1 39 243.33 2 ↓

Analogs

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Popular Name: (S)-(1-methylimidazol-2-yl)-[(1S)-tetralin-1-yl]methanol (S)-(1-methylimidazol-2-yl)-[(1S…

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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) 1.66 5.96 -6.58 1 3 0 38 242.322 2 ↓
Mid Mid (pH 6-8) 1.66 6.15 -30.27 2 3 1 39 243.33 2 ↓

Analogs

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Popular Name: (R)-(1-methylimidazol-2-yl)-[(1R)-tetralin-1-yl]methanamine (R)-(1-methylimidazol-2-yl)-[(1R…

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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) -0.04 7.06 -25.19 3 3 1 45 242.346 2 ↓
Hi High (pH 8-9.5) -0.04 6.44 -5.99 2 3 0 44 241.338 2 ↓
Mid Mid (pH 6-8) -0.04 6.85 -109.53 4 3 2 47 243.354 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(1-methylimidazol-2-yl)-[(1R)-tetralin-1-yl]methanamine (S)-(1-methylimidazol-2-yl)-[(1R…

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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) -0.04 6.95 -32.17 3 3 1 45 242.346 2 ↓
Hi High (pH 8-9.5) -0.04 6.49 -6.43 2 3 0 44 241.338 2 ↓
Mid Mid (pH 6-8) -0.04 7.24 -112.35 4 3 2 47 243.354 2 ↓

Analogs

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Popular Name: (R)-(1-methylimidazol-2-yl)-[(1S)-tetralin-1-yl]methanamine (R)-(1-methylimidazol-2-yl)-[(1S…

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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) -0.04 6.96 -29.79 3 3 1 45 242.346 2 ↓
Hi High (pH 8-9.5) -0.04 6.5 -5.95 2 3 0 44 241.338 2 ↓
Mid Mid (pH 6-8) -0.04 6.82 -39.12 3 3 1 45 242.346 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(1-methylimidazol-2-yl)-[(1S)-tetralin-1-yl]methanamine (S)-(1-methylimidazol-2-yl)-[(1S…

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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) -0.04 6.24 -28.8 3 3 1 45 242.346 2 ↓
Hi High (pH 8-9.5) -0.04 6.09 -6.76 2 3 0 44 241.338 2 ↓
Mid Mid (pH 6-8) -0.04 6.55 -118.28 4 3 2 47 243.354 2 ↓

Analogs

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

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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) 2.22 8.23 -26.35 2 3 1 31 256.373 3 ↓
Hi High (pH 8-9.5) 2.22 8.02 -5.95 1 3 0 30 255.365 3 ↓
Mid Mid (pH 6-8) 2.22 8.83 -102.26 3 3 2 36 257.381 3 ↓

Analogs

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Popular Name: (1S)-N-methyl-1-(1-methylimidazol-2-yl)-1-[(1R)-tetralin-1-yl]methanamine (1S)-N-methyl-1-(1-methylimidazo…

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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) 2.22 7.35 -28.65 2 3 1 31 256.373 3 ↓
Hi High (pH 8-9.5) 2.22 6.78 -6.3 1 3 0 30 255.365 3 ↓
Mid Mid (pH 6-8) 2.22 8.09 -34.96 2 3 1 34 256.373 3 ↓

Analogs

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Popular Name: (1R)-N-methyl-1-(1-methylimidazol-2-yl)-1-[(1S)-tetralin-1-yl]methanamine (1R)-N-methyl-1-(1-methylimidazo…

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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) 2.22 7.18 -28.26 2 3 1 31 256.373 3 ↓
Hi High (pH 8-9.5) 2.22 6.55 -7.05 1 3 0 30 255.365 3 ↓
Mid Mid (pH 6-8) 2.22 8.84 -104.76 3 3 2 36 257.381 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 2.22 8.48 -31.26 2 3 1 31 256.373 3 ↓
Hi High (pH 8-9.5) 2.22 8.04 -5.69 1 3 0 30 255.365 3 ↓
Mid Mid (pH 6-8) 2.22 8.26 -109.51 3 3 2 36 257.381 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-(1-methylimidazol-2-yl)-[(1R)-tetralin-1-yl]methyl]ethanamine N-[(R)-(1-methylimidazol-2-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) 2.59 9.14 -26.42 2 3 1 31 270.4 4 ↓
Hi High (pH 8-9.5) 2.59 8.88 -5.74 1 3 0 30 269.392 4 ↓
Mid Mid (pH 6-8) 2.59 9.84 -105.51 3 3 2 36 271.408 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-(1-methylimidazol-2-yl)-[(1R)-tetralin-1-yl]methyl]ethanamine N-[(S)-(1-methylimidazol-2-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) 2.59 8.25 -28.74 2 3 1 31 270.4 4 ↓
Hi High (pH 8-9.5) 2.59 8.35 -6.74 1 3 0 30 269.392 4 ↓
Mid Mid (pH 6-8) 2.59 9.33 -104.22 3 3 2 36 271.408 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-(1-methylimidazol-2-yl)-[(1S)-tetralin-1-yl]methyl]ethanamine N-[(R)-(1-methylimidazol-2-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) 2.59 8.09 -28.29 2 3 1 31 270.4 4 ↓
Hi High (pH 8-9.5) 2.59 8.54 -5.78 1 3 0 30 269.392 4 ↓
Mid Mid (pH 6-8) 2.59 9.27 -33.22 2 3 1 34 270.4 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-(1-methylimidazol-2-yl)-[(1S)-tetralin-1-yl]methyl]ethanamine N-[(S)-(1-methylimidazol-2-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) 2.59 9.25 -31.32 2 3 1 31 270.4 4 ↓
Hi High (pH 8-9.5) 2.59 7.83 -7.26 1 3 0 30 269.392 4 ↓
Mid Mid (pH 6-8) 2.59 9.03 -108.21 3 3 2 36 271.408 4 ↓

Analogs

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Popular Name: N-[(R)-(1-methylimidazol-2-yl)-[(1R)-tetralin-1-yl]methyl]propan-1-amine N-[(R)-(1-methylimidazol-2-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) 3.10 10.17 -32.05 2 3 1 31 284.427 5 ↓
Hi High (pH 8-9.5) 3.10 9.65 -5.57 1 3 0 30 283.419 5 ↓
Mid Mid (pH 6-8) 3.10 10.59 -107.37 3 3 2 36 285.435 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-(1-methylimidazol-2-yl)-[(1R)-tetralin-1-yl]methyl]propan-1-amine N-[(S)-(1-methylimidazol-2-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) 3.10 9.55 -28.09 2 3 1 31 284.427 5 ↓
Hi High (pH 8-9.5) 3.10 9.12 -6.62 1 3 0 30 283.419 5 ↓
Mid Mid (pH 6-8) 3.10 10.42 -105.66 3 3 2 36 285.435 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-(1-methylimidazol-2-yl)-[(1S)-tetralin-1-yl]methyl]propan-1-amine N-[(R)-(1-methylimidazol-2-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) 3.10 9.74 -31.96 2 3 1 31 284.427 5 ↓
Hi High (pH 8-9.5) 3.10 9.3 -5.68 1 3 0 30 283.419 5 ↓
Mid Mid (pH 6-8) 3.10 10.43 -105.37 3 3 2 36 285.435 5 ↓

Analogs

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Popular Name: N-[(S)-(1-methylimidazol-2-yl)-[(1S)-tetralin-1-yl]methyl]propan-1-amine N-[(S)-(1-methylimidazol-2-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) 3.10 8.74 -26.36 2 3 1 31 284.427 5 ↓
Hi High (pH 8-9.5) 3.10 8.6 -7.13 1 3 0 30 283.419 5 ↓
Mid Mid (pH 6-8) 3.10 9.63 -110.5 3 3 2 36 285.435 5 ↓

Analogs

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Popular Name: (R)-(1-propylimidazol-2-yl)-[(1R)-tetralin-1-yl]methanol (R)-(1-propylimidazol-2-yl)-[(1R…

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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) 2.54 7.71 -6.13 1 3 0 38 270.376 4 ↓
Mid Mid (pH 6-8) 2.54 8.27 -33.26 2 3 1 39 271.384 4 ↓

Analogs

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Popular Name: (S)-(1-propylimidazol-2-yl)-[(1R)-tetralin-1-yl]methanol (S)-(1-propylimidazol-2-yl)-[(1R…

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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) 2.54 8 -6.27 1 3 0 38 270.376 4 ↓
Mid Mid (pH 6-8) 2.54 8.41 -32.77 2 3 1 39 271.384 4 ↓

Analogs

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Popular Name: (R)-(1-propylimidazol-2-yl)-[(1S)-tetralin-1-yl]methanol (R)-(1-propylimidazol-2-yl)-[(1S…

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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) 2.54 8.04 -6.4 1 3 0 38 270.376 4 ↓
Mid Mid (pH 6-8) 2.54 8.56 -33.16 2 3 1 39 271.384 4 ↓

Analogs

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Popular Name: (S)-(1-propylimidazol-2-yl)-[(1S)-tetralin-1-yl]methanol (S)-(1-propylimidazol-2-yl)-[(1S…

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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) 2.54 7.64 -5.59 1 3 0 38 270.376 4 ↓
Mid Mid (pH 6-8) 2.54 8.05 -32.94 2 3 1 39 271.384 4 ↓

Analogs

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Popular Name: (R)-(1-ethylimidazol-2-yl)-[(1R)-tetralin-1-yl]methanol (R)-(1-ethylimidazol-2-yl)-[(1R)…

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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) 2.04 6.95 -6.44 1 3 0 38 256.349 3 ↓
Mid Mid (pH 6-8) 2.04 7.54 -33.09 2 3 1 39 257.357 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(1-ethylimidazol-2-yl)-[(1R)-tetralin-1-yl]methanol (S)-(1-ethylimidazol-2-yl)-[(1R)…

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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) 2.04 7.26 -6.61 1 3 0 38 256.349 3 ↓
Mid Mid (pH 6-8) 2.04 7.66 -32.56 2 3 1 39 257.357 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(1-ethylimidazol-2-yl)-[(1S)-tetralin-1-yl]methanol (R)-(1-ethylimidazol-2-yl)-[(1S)…

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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) 2.04 7.31 -6.77 1 3 0 38 256.349 3 ↓
Mid Mid (pH 6-8) 2.04 7.79 -33.05 2 3 1 39 257.357 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(1-ethylimidazol-2-yl)-[(1S)-tetralin-1-yl]methanol (S)-(1-ethylimidazol-2-yl)-[(1S)…

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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) 2.04 6.89 -5.99 1 3 0 38 256.349 3 ↓
Mid Mid (pH 6-8) 2.04 7.31 -32.75 2 3 1 39 257.357 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(1-propylimidazol-2-yl)-[(1R)-tetralin-1-yl]methanamine (R)-(1-propylimidazol-2-yl)-[(1R…

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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) 0.84 8.62 -32.3 3 3 1 45 270.4 4 ↓
Hi High (pH 8-9.5) 0.84 7.89 -5.95 2 3 0 44 269.392 4 ↓
Mid Mid (pH 6-8) 0.84 8.55 -110.01 4 3 2 47 271.408 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(1-propylimidazol-2-yl)-[(1R)-tetralin-1-yl]methanamine (S)-(1-propylimidazol-2-yl)-[(1R…

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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) 0.84 8.46 -29.07 3 3 1 45 270.4 4 ↓
Hi High (pH 8-9.5) 0.84 8.12 -5.15 2 3 0 44 269.392 4 ↓
Mid Mid (pH 6-8) 0.84 8.78 -112.98 4 3 2 47 271.408 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(1-propylimidazol-2-yl)-[(1S)-tetralin-1-yl]methanamine (R)-(1-propylimidazol-2-yl)-[(1S…

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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) 0.84 8.62 -31.62 3 3 1 45 270.4 4 ↓
Hi High (pH 8-9.5) 0.84 8.15 -5.68 2 3 0 44 269.392 4 ↓
Mid Mid (pH 6-8) 0.84 8.92 -112.75 4 3 2 47 271.408 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(1-propylimidazol-2-yl)-[(1S)-tetralin-1-yl]methanamine (S)-(1-propylimidazol-2-yl)-[(1S…

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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) 0.84 8.65 -27.94 3 3 1 45 270.4 4 ↓
Hi High (pH 8-9.5) 0.84 8.03 -5.3 2 3 0 44 269.392 4 ↓
Mid Mid (pH 6-8) 0.84 8.64 -38.28 3 3 1 45 270.4 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(1-ethylimidazol-2-yl)-[(1R)-tetralin-1-yl]methanamine (R)-(1-ethylimidazol-2-yl)-[(1R)…

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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) 0.34 8.08 -24.3 3 3 1 45 256.373 3 ↓
Hi High (pH 8-9.5) 0.34 7.34 -5.52 2 3 0 44 255.365 3 ↓
Mid Mid (pH 6-8) 0.34 7.8 -108.96 4 3 2 47 257.381 3 ↓

Analogs

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Popular Name: (S)-(1-ethylimidazol-2-yl)-[(1R)-tetralin-1-yl]methanamine (S)-(1-ethylimidazol-2-yl)-[(1R)…

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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) 0.34 7.72 -31.4 3 3 1 45 256.373 3 ↓
Hi High (pH 8-9.5) 0.34 7.34 -5.98 2 3 0 44 255.365 3 ↓
Mid Mid (pH 6-8) 0.34 8.04 -111.88 4 3 2 47 257.381 3 ↓

Analogs

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Popular Name: (R)-(1-ethylimidazol-2-yl)-[(1S)-tetralin-1-yl]methanamine (R)-(1-ethylimidazol-2-yl)-[(1S)…

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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) 0.34 7.81 -29.13 3 3 1 45 256.373 3 ↓
Hi High (pH 8-9.5) 0.34 7.42 -5.53 2 3 0 44 255.365 3 ↓
Mid Mid (pH 6-8) 0.34 8.17 -111.45 4 3 2 47 257.381 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(1-ethylimidazol-2-yl)-[(1S)-tetralin-1-yl]methanamine (S)-(1-ethylimidazol-2-yl)-[(1S)…

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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) 0.34 7.64 -32.02 3 3 1 45 256.373 3 ↓
Hi High (pH 8-9.5) 0.34 7.54 -7.64 2 3 0 44 255.365 3 ↓
Mid Mid (pH 6-8) 0.34 8.22 -106.78 4 3 2 47 257.381 3 ↓

Analogs

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

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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) 3.10 10.14 -30.74 2 3 1 31 284.427 5 ↓
Hi High (pH 8-9.5) 3.10 9.68 -4.88 1 3 0 30 283.419 5 ↓
Mid Mid (pH 6-8) 3.10 10.45 -102.4 3 3 2 36 285.435 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-methyl-1-(1-propylimidazol-2-yl)-1-[(1R)-tetralin-1-yl]methanamine (1S)-N-methyl-1-(1-propylimidazo…

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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) 3.10 8.26 -27.38 2 3 1 31 284.427 5 ↓
Hi High (pH 8-9.5) 3.10 8.05 -6.19 1 3 0 30 283.419 5 ↓
Mid Mid (pH 6-8) 3.10 9.99 -106.24 3 3 2 36 285.435 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-methyl-1-(1-propylimidazol-2-yl)-1-[(1S)-tetralin-1-yl]methanamine (1R)-N-methyl-1-(1-propylimidazo…

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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) 3.10 9.08 -27.99 2 3 1 31 284.427 5 ↓
Hi High (pH 8-9.5) 3.10 8.42 -5.35 1 3 0 30 283.419 5 ↓
Mid Mid (pH 6-8) 3.10 10.47 -105.16 3 3 2 36 285.435 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 3.10 7.8 -27.61 2 3 1 31 284.427 5 ↓
Hi High (pH 8-9.5) 3.10 8.41 -5.3 1 3 0 30 283.419 5 ↓
Mid Mid (pH 6-8) 3.10 9.33 -109.21 3 3 2 36 285.435 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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 9.38 -30.41 2 3 1 31 270.4 4 ↓
Hi High (pH 8-9.5) 2.59 8.92 -5.21 1 3 0 30 269.392 4 ↓
Mid Mid (pH 6-8) 2.59 9.68 -101.34 3 3 2 36 271.408 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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 7.51 -27.51 2 3 1 31 270.4 4 ↓
Hi High (pH 8-9.5) 2.59 7.28 -6.53 1 3 0 30 269.392 4 ↓
Mid Mid (pH 6-8) 2.59 9.31 -105.15 3 3 2 36 271.408 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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 8.32 -27.91 2 3 1 31 270.4 4 ↓
Hi High (pH 8-9.5) 2.59 7.67 -5.72 1 3 0 30 269.392 4 ↓
Mid Mid (pH 6-8) 2.59 9.71 -104 3 3 2 36 271.408 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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 7.04 -27.7 2 3 1 31 270.4 4 ↓
Hi High (pH 8-9.5) 2.59 7.66 -5.54 1 3 0 30 269.392 4 ↓
Mid Mid (pH 6-8) 2.59 9.05 -108.58 3 3 2 36 271.408 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-(1-ethylimidazol-2-yl)-[(1R)-tetralin-1-yl]methyl]ethanamine N-[(R)-(1-ethylimidazol-2-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) 2.97 8.15 -27.21 2 3 1 31 284.427 5 ↓
Hi High (pH 8-9.5) 2.97 9.81 -5.28 1 3 0 30 283.419 5 ↓
Mid Mid (pH 6-8) 2.97 10.53 -100.06 3 3 2 36 285.435 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-(1-ethylimidazol-2-yl)-[(1R)-tetralin-1-yl]methyl]ethanamine N-[(S)-(1-ethylimidazol-2-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) 2.97 8.57 -28.21 2 3 1 31 284.427 5 ↓
Hi High (pH 8-9.5) 2.97 8.38 -5.75 1 3 0 30 283.419 5 ↓
Mid Mid (pH 6-8) 2.97 10.1 -103.55 3 3 2 36 285.435 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-(1-ethylimidazol-2-yl)-[(1S)-tetralin-1-yl]methyl]ethanamine N-[(R)-(1-ethylimidazol-2-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) 2.97 8.97 -27.69 2 3 1 31 284.427 5 ↓
Hi High (pH 8-9.5) 2.97 8.34 -6.49 1 3 0 30 283.419 5 ↓
Mid Mid (pH 6-8) 2.97 10.17 -32.41 2 3 1 34 284.427 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-(1-ethylimidazol-2-yl)-[(1S)-tetralin-1-yl]methyl]ethanamine N-[(S)-(1-ethylimidazol-2-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) 2.97 10.11 -30.76 2 3 1 31 284.427 5 ↓
Hi High (pH 8-9.5) 2.97 9.77 -5.34 1 3 0 30 283.419 5 ↓
Mid Mid (pH 6-8) 2.97 9.67 -107.55 3 3 2 36 285.435 5 ↓

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