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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N'-cycloheptyl-1-cyclopropyl-N'-methyl-ethane-1,2-diamine (1R)-N'-cycloheptyl-1-cyclopropy…

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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) 2.49 6.58 -120.78 4 2 2 32 212.381 4 ↓
Mid Mid (pH 6-8) 2.49 4.76 -37.16 3 2 1 31 211.373 4 ↓
Mid Mid (pH 6-8) 2.49 6.24 -33.9 3 2 1 30 211.373 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N'-cycloheptyl-1-cyclopropyl-N'-methyl-ethane-1,2-diamine (1S)-N'-cycloheptyl-1-cyclopropy…

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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) 2.49 6.83 -120.09 4 2 2 32 212.381 4 ↓
Mid Mid (pH 6-8) 2.49 6.44 -30.11 3 2 1 30 211.373 4 ↓
Mid Mid (pH 6-8) 2.49 4.86 -37.54 3 2 1 31 211.373 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N'-cycloheptyl-1-cyclopropyl-N,N'-dimethyl-ethane-1,2-diamine (1R)-N'-cycloheptyl-1-cyclopropy…

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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) 3.40 8.1 -114.11 3 2 2 21 226.408 5 ↓
Mid Mid (pH 6-8) 3.40 6.88 -29.97 2 2 1 16 225.4 5 ↓
Mid Mid (pH 6-8) 3.40 5.91 -35.64 2 2 1 20 225.4 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N'-cycloheptyl-1-cyclopropyl-N,N'-dimethyl-ethane-1,2-diamine (1S)-N'-cycloheptyl-1-cyclopropy…

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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) 3.40 8.14 -113.39 3 2 2 21 226.408 5 ↓
Mid Mid (pH 6-8) 3.40 8.02 -29.88 2 2 1 16 225.4 5 ↓
Mid Mid (pH 6-8) 3.40 6.28 -32.73 2 2 1 20 225.4 5 ↓

Analogs

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Popular Name: (1R)-2-[cycloheptyl(methyl)amino]-1-cyclopropyl-ethanol (1R)-2-[cycloheptyl(methyl)amino…

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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) 2.98 5.84 -33.68 2 2 1 25 212.357 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2-[cycloheptyl(methyl)amino]-1-cyclopropyl-ethanol (1S)-2-[cycloheptyl(methyl)amino…

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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) 2.98 6.12 -33.6 2 2 1 25 212.357 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N'-cycloheptyl-1-cyclopropyl-N-ethyl-N'-methyl-ethane-1,2-diamine (1R)-N'-cycloheptyl-1-cyclopropy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.77 8.93 -113.5 3 2 2 21 240.435 6 ↓
Hi High (pH 8-9.5) 3.77 7.79 -30.32 2 2 1 16 239.427 6 ↓
Mid Mid (pH 6-8) 3.77 6.84 -34.16 2 2 1 20 239.427 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N'-cycloheptyl-1-cyclopropyl-N-ethyl-N'-methyl-ethane-1,2-diamine (1S)-N'-cycloheptyl-1-cyclopropy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.77 8.98 -113.06 3 2 2 21 240.435 6 ↓
Hi High (pH 8-9.5) 3.77 8.91 -30.2 2 2 1 16 239.427 6 ↓
Mid Mid (pH 6-8) 3.77 7.11 -31.39 2 2 1 20 239.427 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N'-cycloheptyl-1-cyclopropyl-N'-methyl-N-propyl-ethane-1,2-diamine (1R)-N'-cycloheptyl-1-cyclopropy…

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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 9.69 -115.73 3 2 2 21 254.462 7 ↓
Hi High (pH 8-9.5) 4.27 8.55 -30.64 2 2 1 16 253.454 7 ↓
Mid Mid (pH 6-8) 4.27 7.59 -34.95 2 2 1 20 253.454 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N'-cycloheptyl-1-cyclopropyl-N'-methyl-N-propyl-ethane-1,2-diamine (1S)-N'-cycloheptyl-1-cyclopropy…

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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 9.73 -115.12 3 2 2 21 254.462 7 ↓
Hi High (pH 8-9.5) 4.27 9.66 -30.57 2 2 1 16 253.454 7 ↓
Mid Mid (pH 6-8) 4.27 7.88 -32.06 2 2 1 20 253.454 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-[cycloheptyl(methyl)amino]-2-cyclopropyl-2-(methylamino)propanenitrile (2S)-3-[cycloheptyl(methyl)amino…

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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 7.97 -37.61 2 3 1 40 250.41 5 ↓
Hi High (pH 8-9.5) 3.25 5.7 -5.68 1 3 0 39 249.402 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-[cycloheptyl(methyl)amino]-2-cyclopropyl-2-(methylamino)propanenitrile (2R)-3-[cycloheptyl(methyl)amino…

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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 6.73 -35.28 2 3 1 40 250.41 5 ↓
Hi High (pH 8-9.5) 3.25 4.25 -4.74 1 3 0 39 249.402 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-[cycloheptyl(methyl)amino]-2-cyclopropyl-2-(isopropylamino)propanenitrile (2S)-3-[cycloheptyl(methyl)amino…

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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) 3.92 9.11 -37.82 2 3 1 40 278.464 6 ↓
Hi High (pH 8-9.5) 3.92 6.86 -5.52 1 3 0 39 277.456 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-[cycloheptyl(methyl)amino]-2-cyclopropyl-2-(isopropylamino)propanenitrile (2R)-3-[cycloheptyl(methyl)amino…

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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) 3.92 9.2 -41.75 2 3 1 40 278.464 6 ↓
Hi High (pH 8-9.5) 3.92 7.13 -2.58 1 3 0 39 277.456 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-amino-3-[cycloheptyl(methyl)amino]-2-cyclopropyl-propanenitrile (2R)-2-amino-3-[cycloheptyl(meth…

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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) 2.88 5.93 -43.23 3 3 1 54 236.383 4 ↓
Hi High (pH 8-9.5) 2.88 4.06 -5.08 2 3 0 53 235.375 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-amino-3-[cycloheptyl(methyl)amino]-2-cyclopropyl-propanenitrile (2S)-2-amino-3-[cycloheptyl(meth…

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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) 2.88 7.09 -37.19 3 3 1 54 236.383 4 ↓
Hi High (pH 8-9.5) 2.88 4.99 -5.7 2 3 0 53 235.375 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-[cycloheptyl(methyl)amino]-2-cyclopropyl-2-(ethylamino)propanenitrile (2S)-3-[cycloheptyl(methyl)amino…

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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) 3.63 8.75 -37.76 2 3 1 40 264.437 6 ↓
Hi High (pH 8-9.5) 3.63 6.51 -5.67 1 3 0 39 263.429 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-[cycloheptyl(methyl)amino]-2-cyclopropyl-2-(ethylamino)propanenitrile (2R)-3-[cycloheptyl(methyl)amino…

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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) 3.63 8.7 -41.39 2 3 1 40 264.437 6 ↓
Hi High (pH 8-9.5) 3.63 6.59 -2.87 1 3 0 39 263.429 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-[cycloheptyl(methyl)amino]-2-cyclopropyl-2-(propylamino)propanenitrile (2S)-3-[cycloheptyl(methyl)amino…

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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) 4.13 9.51 -38.32 2 3 1 40 278.464 7 ↓
Hi High (pH 8-9.5) 4.13 7.27 -5.71 1 3 0 39 277.456 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-[cycloheptyl(methyl)amino]-2-cyclopropyl-2-(propylamino)propanenitrile (2R)-3-[cycloheptyl(methyl)amino…

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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) 4.13 9.45 -41.98 2 3 1 40 278.464 7 ↓
Hi High (pH 8-9.5) 4.13 7.35 -2.81 1 3 0 39 277.456 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-[cycloheptyl(methyl)amino]-2-cyclopropyl-2-(ethylamino)propanoic (2R)-3-[cycloheptyl(methyl)amino…

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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) 1.11 9.42 -73.75 3 4 1 61 283.436 7 ↓
Hi High (pH 8-9.5) 1.11 9.01 -27.85 2 4 0 60 282.428 7 ↓
Hi High (pH 8-9.5) 1.11 9.19 -40.56 2 4 0 57 282.428 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-[cycloheptyl(methyl)amino]-2-cyclopropyl-2-(ethylamino)propanoic (2S)-3-[cycloheptyl(methyl)amino…

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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) 1.11 9.36 -62.62 3 4 1 61 283.436 7 ↓
Hi High (pH 8-9.5) 1.11 9.49 -30.24 2 4 0 60 282.428 7 ↓
Hi High (pH 8-9.5) 1.11 9.27 -32.03 2 4 0 57 282.428 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-amino-3-[cycloheptyl(methyl)amino]-2-cyclopropyl-propanamide (2S)-2-amino-3-[cycloheptyl(meth…

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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 4.1 -37.65 5 4 1 74 254.398 5 ↓

Analogs

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Popular Name: (2R)-2-amino-3-[cycloheptyl(methyl)amino]-2-cyclopropyl-propanamide (2R)-2-amino-3-[cycloheptyl(meth…

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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 3.27 -33.29 5 4 1 74 254.398 5 ↓

Analogs

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Popular Name: methyl methyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.95 6.96 -32.93 3 4 1 57 269.409 6 ↓
Hi High (pH 8-9.5) 2.95 4.54 -3.54 2 4 0 56 268.401 6 ↓

Analogs

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Popular Name: methyl methyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.95 7.15 -38.45 3 4 1 57 269.409 6 ↓
Hi High (pH 8-9.5) 2.95 5.43 -3.37 2 4 0 56 268.401 6 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 3.33 7.89 -32.63 3 4 1 57 283.436 7 ↓
Hi High (pH 8-9.5) 3.33 5.76 -3.46 2 4 0 56 282.428 7 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 3.33 8.07 -38.19 3 4 1 57 283.436 7 ↓
Hi High (pH 8-9.5) 3.33 6.43 -3.17 2 4 0 56 282.428 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-[cycloheptyl(methyl)amino]-2-cyclopropyl-2-(ethylamino)propanamide (2R)-3-[cycloheptyl(methyl)amino…

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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) 2.57 5.82 -37.46 4 4 1 60 282.452 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-[cycloheptyl(methyl)amino]-2-cyclopropyl-2-(ethylamino)propanamide (2S)-3-[cycloheptyl(methyl)amino…

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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) 2.57 6.2 -37.48 4 4 1 60 282.452 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-[cycloheptyl(methyl)amino]-2-cyclopropyl-2-(propylamino)propanoic (2R)-3-[cycloheptyl(methyl)amino…

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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) 1.61 10.18 -74.48 3 4 1 61 297.463 8 ↓
Hi High (pH 8-9.5) 1.61 9.77 -27.88 2 4 0 60 296.455 8 ↓
Hi High (pH 8-9.5) 1.61 9.95 -40.69 2 4 0 57 296.455 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-[cycloheptyl(methyl)amino]-2-cyclopropyl-2-(propylamino)propanoic (2S)-3-[cycloheptyl(methyl)amino…

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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) 1.61 10.12 -63.48 3 4 1 61 297.463 8 ↓
Hi High (pH 8-9.5) 1.61 10.26 -30.24 2 4 0 60 296.455 8 ↓
Hi High (pH 8-9.5) 1.61 10.03 -32.09 2 4 0 57 296.455 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-[cycloheptyl(methyl)amino]-2-cyclopropyl-2-(isopropylamino)propanoic (2R)-3-[cycloheptyl(methyl)amino…

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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) 1.41 9.62 -73.83 3 4 1 61 297.463 7 ↓
Hi High (pH 8-9.5) 1.41 8.14 -28.81 2 4 0 60 296.455 7 ↓
Hi High (pH 8-9.5) 1.41 9.62 -38.67 2 4 0 57 296.455 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-[cycloheptyl(methyl)amino]-2-cyclopropyl-2-(isopropylamino)propanoic (2S)-3-[cycloheptyl(methyl)amino…

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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) 1.41 9.87 -65.45 3 4 1 61 297.463 7 ↓
Hi High (pH 8-9.5) 1.41 8.68 -27.64 2 4 0 57 296.455 7 ↓
Hi High (pH 8-9.5) 1.41 7.2 -28.27 2 4 0 60 296.455 7 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 3.70 8.71 -35.92 2 4 1 43 297.463 8 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 3.70 9.46 -32.93 2 4 1 43 297.463 8 ↓

Analogs

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Popular Name: (2R)-3-[cycloheptyl(methyl)amino]-2-cyclopropyl-2-(methylamino)propanamide (2R)-3-[cycloheptyl(methyl)amino…

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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) 2.20 3.7 -29.53 4 4 1 60 268.425 6 ↓

Analogs

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Popular Name: (2S)-3-[cycloheptyl(methyl)amino]-2-cyclopropyl-2-(methylamino)propanamide (2S)-3-[cycloheptyl(methyl)amino…

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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) 2.20 5.38 -37.58 4 4 1 60 268.425 6 ↓

Analogs

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Popular Name: (2R)-3-[cycloheptyl(methyl)amino]-2-cyclopropyl-2-(propylamino)propanamide (2R)-3-[cycloheptyl(methyl)amino…

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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) 3.08 6.57 -37.95 4 4 1 60 296.479 8 ↓

Analogs

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Popular Name: (2S)-3-[cycloheptyl(methyl)amino]-2-cyclopropyl-2-(propylamino)propanamide (2S)-3-[cycloheptyl(methyl)amino…

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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) 3.08 6.95 -37.98 4 4 1 60 296.479 8 ↓

Analogs

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Popular Name: (2R)-3-[cycloheptyl(methyl)amino]-2-cyclopropyl-2-(isopropylamino)propanamide (2R)-3-[cycloheptyl(methyl)amino…

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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) 2.87 6.24 -38.41 4 4 1 60 296.479 7 ↓
Lo Low (pH 4.5-6) 2.87 6.94 -118.85 5 4 2 64 297.487 7 ↓

Analogs

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Popular Name: (2S)-3-[cycloheptyl(methyl)amino]-2-cyclopropyl-2-(isopropylamino)propanamide (2S)-3-[cycloheptyl(methyl)amino…

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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) 2.87 6.99 -38.69 4 4 1 60 296.479 7 ↓
Lo Low (pH 4.5-6) 2.87 6.43 -113.32 5 4 2 64 297.487 7 ↓

Analogs

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Popular Name: (2S)-2-amino-3-[cycloheptyl(methyl)amino]-2-cyclopropyl-propanoic (2S)-2-amino-3-[cycloheptyl(meth…

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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) 0.36 7.55 -75.26 4 4 1 72 255.382 5 ↓
Mid Mid (pH 6-8) 0.36 7.55 -32.95 3 4 0 71 254.374 5 ↓

Analogs

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Popular Name: (2R)-2-amino-3-[cycloheptyl(methyl)amino]-2-cyclopropyl-propanoic (2R)-2-amino-3-[cycloheptyl(meth…

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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) 0.36 6.99 -69.47 4 4 1 72 255.382 5 ↓
Mid Mid (pH 6-8) 0.36 6.7 -34.35 3 4 0 71 254.374 5 ↓

Analogs

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Popular Name: (2R)-3-[cycloheptyl(methyl)amino]-2-cyclopropyl-2-(methylamino)propanoic (2R)-3-[cycloheptyl(methyl)amino…

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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) 0.73 8.6 -75.48 3 4 1 61 269.409 6 ↓
Hi High (pH 8-9.5) 0.73 8.19 -29.15 2 4 0 60 268.401 6 ↓
Mid Mid (pH 6-8) 0.73 8.38 -40.14 2 4 0 57 268.401 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-[cycloheptyl(methyl)amino]-2-cyclopropyl-2-(methylamino)propanoic (2S)-3-[cycloheptyl(methyl)amino…

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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) 0.73 8.59 -64.73 3 4 1 61 269.409 6 ↓
Hi High (pH 8-9.5) 0.73 8.84 -31.78 2 4 0 60 268.401 6 ↓
Mid Mid (pH 6-8) 0.73 8.49 -32.17 2 4 0 57 268.401 6 ↓

Analogs

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Popular Name: methyl methyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.33 7.56 -37.3 2 4 1 43 283.436 7 ↓
Hi High (pH 8-9.5) 3.33 6.16 -3.78 1 4 0 42 282.428 7 ↓

Analogs

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Popular Name: methyl methyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.33 8.05 -32.42 2 4 1 43 283.436 7 ↓
Hi High (pH 8-9.5) 3.33 5.5 -3.76 1 4 0 42 282.428 7 ↓

Analogs

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Popular Name: methyl methyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.70 8.45 -37.36 2 4 1 43 297.463 8 ↓
Hi High (pH 8-9.5) 3.70 7.05 -3.63 1 4 0 42 296.455 8 ↓

Analogs

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Popular Name: methyl methyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.70 8.89 -32.38 2 4 1 43 297.463 8 ↓
Hi High (pH 8-9.5) 3.70 6.38 -3.55 1 4 0 42 296.455 8 ↓

Parameters Provided:

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