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Analogs

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Popular Name: (1R)-N-cyclopropyl-N-ethyl-1-(8-quinolyl)ethane-1,2-diamine (1R)-N-cyclopropyl-N-ethyl-1-(8-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.43 5.03 -41.45 3 3 1 44 256.373 5 ↓
Mid Mid (pH 6-8) 1.43 6.9 -110.42 4 3 2 45 257.381 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-cyclopropyl-N-ethyl-1-(8-quinolyl)ethane-1,2-diamine (1S)-N-cyclopropyl-N-ethyl-1-(8-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.43 4.51 -40.84 3 3 1 44 256.373 5 ↓
Mid Mid (pH 6-8) 1.43 6.64 -113.14 4 3 2 45 257.381 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-cyclopropyl-N-methyl-1-(8-quinolyl)ethane-1,2-diamine (1R)-N-cyclopropyl-N-methyl-1-(8…

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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) 1.05 4.26 -40.02 3 3 1 44 242.346 4 ↓
Lo Low (pH 4.5-6) 1.05 6.3 -112.87 4 3 2 45 243.354 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-cyclopropyl-N-methyl-1-(8-quinolyl)ethane-1,2-diamine (1S)-N-cyclopropyl-N-methyl-1-(8…

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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) 1.05 5.25 -36.82 3 3 1 44 242.346 4 ↓
Lo Low (pH 4.5-6) 1.05 6.69 -110.65 4 3 2 45 243.354 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-cyclopropyl-N-propyl-1-(8-quinolyl)ethane-1,2-diamine (1R)-N-cyclopropyl-N-propyl-1-(8…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.93 5.99 -39.71 3 3 1 44 270.4 6 ↓
Mid Mid (pH 6-8) 1.93 7.64 -109.88 4 3 2 45 271.408 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-cyclopropyl-N-propyl-1-(8-quinolyl)ethane-1,2-diamine (1S)-N-cyclopropyl-N-propyl-1-(8…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.93 5.77 -39.79 3 3 1 44 270.4 6 ↓
Mid Mid (pH 6-8) 1.93 7.86 -121.16 4 3 2 45 271.408 6 ↓

Analogs

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Popular Name: (1R)-N-butyl-N-cyclopropyl-1-(8-quinolyl)ethane-1,2-diamine (1R)-N-butyl-N-cyclopropyl-1-(8-…

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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 6.77 -39.75 3 3 1 44 284.427 7 ↓
Mid Mid (pH 6-8) 2.49 8.42 -111.08 4 3 2 45 285.435 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-butyl-N-cyclopropyl-1-(8-quinolyl)ethane-1,2-diamine (1S)-N-butyl-N-cyclopropyl-1-(8-…

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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 6.15 -41.01 3 3 1 44 284.427 7 ↓
Mid Mid (pH 6-8) 2.49 8.15 -115.98 4 3 2 45 285.435 7 ↓

Analogs

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Popular Name: (1R)-N-cyclopropyl-N-(2-methoxyethyl)-1-(8-quinolyl)ethane-1,2-diamine (1R)-N-cyclopropyl-N-(2-methoxye…

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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) 1.04 4.16 -44.71 3 4 1 53 286.399 7 ↓
Lo Low (pH 4.5-6) 1.04 6.35 -110.06 4 4 2 54 287.407 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-cyclopropyl-N-(2-methoxyethyl)-1-(8-quinolyl)ethane-1,2-diamine (1S)-N-cyclopropyl-N-(2-methoxye…

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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) 1.04 3.59 -40.49 3 4 1 53 286.399 7 ↓
Lo Low (pH 4.5-6) 1.04 6.2 -113.69 4 4 2 54 287.407 7 ↓

Analogs

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Popular Name: (1R)-N-cyclopropyl-N-isobutyl-1-(8-quinolyl)ethane-1,2-diamine (1R)-N-cyclopropyl-N-isobutyl-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) 2.17 6.5 -41.13 3 3 1 44 284.427 6 ↓
Mid Mid (pH 6-8) 2.17 7.66 -115.87 4 3 2 45 285.435 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-cyclopropyl-N-isobutyl-1-(8-quinolyl)ethane-1,2-diamine (1S)-N-cyclopropyl-N-isobutyl-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) 2.17 6.76 -40.39 3 3 1 44 284.427 6 ↓
Mid Mid (pH 6-8) 2.17 8.04 -111.74 4 3 2 45 285.435 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-cyclopropyl-1-(8-quinolyl)ethane-1,2-diamine (1S)-N-cyclopropyl-1-(8-quinolyl…

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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) 0.81 3.82 -42.13 4 3 1 53 228.319 4 ↓
Mid Mid (pH 6-8) 0.81 4.46 -31.01 4 3 1 56 228.319 4 ↓
Mid Mid (pH 6-8) 0.81 4.9 -117.61 5 3 2 57 229.327 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-cyclopropyl-1-(8-quinolyl)ethane-1,2-diamine (1R)-N-cyclopropyl-1-(8-quinolyl…

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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) 0.81 3.72 -37.06 4 3 1 53 228.319 4 ↓
Mid Mid (pH 6-8) 0.81 4.85 -32.48 4 3 1 56 228.319 4 ↓
Mid Mid (pH 6-8) 0.81 4.91 -117.25 5 3 2 57 229.327 4 ↓

Analogs

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Popular Name: (2S)-2-(cyclopropylamino)-2-(8-quinolyl)acetonitrile (2S)-2-(cyclopropylamino)-2-(8-q…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.79 5.92 -8.16 1 3 0 49 223.279 3 ↓
Lo Low (pH 4.5-6) 1.79 6.83 -42.12 2 3 1 53 224.287 3 ↓

Analogs

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Popular Name: (2R)-2-(cyclopropylamino)-2-(8-quinolyl)acetonitrile (2R)-2-(cyclopropylamino)-2-(8-q…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.79 5.8 -9.63 1 3 0 49 223.279 3 ↓
Lo Low (pH 4.5-6) 1.79 6.86 -43.24 2 3 1 53 224.287 3 ↓

Analogs

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Popular Name: (2S)-2-(cyclopropylamino)-2-(8-quinolyl)acetamide (2S)-2-(cyclopropylamino)-2-(8-q…

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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 2.95 -7.94 3 4 0 68 241.294 4 ↓
Mid Mid (pH 6-8) 0.73 3.85 -32.5 4 4 1 73 242.302 4 ↓

Analogs

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Popular Name: (2R)-2-(cyclopropylamino)-2-(8-quinolyl)acetamide (2R)-2-(cyclopropylamino)-2-(8-q…

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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 3.06 -10.09 3 4 0 68 241.294 4 ↓
Mid Mid (pH 6-8) 0.73 4.03 -32.93 4 4 1 73 242.302 4 ↓

Analogs

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Popular Name: (2S)-2-(cyclopropylamino)-2-(8-quinolyl)acetic (2S)-2-(cyclopropylamino)-2-(8-q…

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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) 1.25 7.25 -37.3 2 4 0 70 242.278 4 ↓
Mid Mid (pH 6-8) 1.25 7.56 -53.71 3 4 1 71 243.286 4 ↓

Analogs

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Popular Name: (2R)-2-(cyclopropylamino)-2-(8-quinolyl)acetic (2R)-2-(cyclopropylamino)-2-(8-q…

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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) 1.25 7.28 -36.98 2 4 0 70 242.278 4 ↓
Mid Mid (pH 6-8) 1.25 7.66 -53.19 3 4 1 71 243.286 4 ↓

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) 1.86 5.34 -7.38 1 4 0 51 256.305 5 ↓
Mid Mid (pH 6-8) 1.86 7.45 -34.39 2 4 1 56 257.313 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) 1.86 6.48 -7.88 1 4 0 51 256.305 5 ↓
Mid Mid (pH 6-8) 1.86 7.05 -33.11 2 4 1 56 257.313 5 ↓

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) 2.24 6.27 -7.24 1 4 0 51 270.332 6 ↓
Mid Mid (pH 6-8) 2.24 8.38 -34.07 2 4 1 56 271.34 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) 2.24 7.41 -7.78 1 4 0 51 270.332 6 ↓
Mid Mid (pH 6-8) 2.24 7.97 -32.81 2 4 1 56 271.34 6 ↓

Analogs

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Popular Name: (2S)-2-[acetyl(cyclopropyl)amino]-2-(8-quinolyl)acetic (2S)-2-[acetyl(cyclopropyl)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) 0.85 7.4 -60.52 0 5 -1 73 283.307 4 ↓
Lo Low (pH 4.5-6) 0.85 8.58 -45.28 1 5 0 75 284.315 4 ↓

Analogs

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Popular Name: (2R)-2-[acetyl(cyclopropyl)amino]-2-(8-quinolyl)acetic (2R)-2-[acetyl(cyclopropyl)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) 0.85 7.27 -58.87 0 5 -1 73 283.307 4 ↓
Lo Low (pH 4.5-6) 0.85 8.37 -43.61 1 5 0 75 284.315 4 ↓

Analogs

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Popular Name: (2S)-2-[cyclopropyl(formyl)amino]-2-(8-quinolyl)acetic (2S)-2-[cyclopropyl(formyl)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) 0.88 8.06 -62.2 0 5 -1 73 269.28 4 ↓
Lo Low (pH 4.5-6) 0.88 8.4 -65.8 1 5 0 75 270.288 4 ↓

Analogs

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Popular Name: (2R)-2-[cyclopropyl(formyl)amino]-2-(8-quinolyl)acetic (2R)-2-[cyclopropyl(formyl)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) 0.88 8.17 -63.62 0 5 -1 73 269.28 4 ↓
Lo Low (pH 4.5-6) 0.88 8.51 -66.67 1 5 0 75 270.288 4 ↓

Analogs

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Popular Name: (2S)-2-(cyclopropylamino)-2-(8-quinolyl)ethanol (2S)-2-(cyclopropylamino)-2-(8-q…

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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) 1.37 4.01 -32.97 3 3 1 50 229.303 4 ↓
Hi High (pH 8-9.5) 1.37 3.1 -6.73 2 3 0 45 228.295 4 ↓

Analogs

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Popular Name: (2R)-2-(cyclopropylamino)-2-(8-quinolyl)ethanol (2R)-2-(cyclopropylamino)-2-(8-q…

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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) 1.37 3.98 -33.24 3 3 1 50 229.303 4 ↓
Hi High (pH 8-9.5) 1.37 2.88 -6.95 2 3 0 45 228.295 4 ↓

Analogs

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Popular Name: N-cyclopropyl-N-(8-quinolylmethyl)propane-1,3-diamine N-cyclopropyl-N-(8-quinolylmethy…

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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) 1.14 5.09 -43.56 3 3 1 44 256.373 6 ↓
Hi High (pH 8-9.5) 1.14 6.81 -30.03 3 3 1 43 256.373 6 ↓

Analogs

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Popular Name: 2-[cyclopropyl(8-quinolylmethyl)amino]acetic 2-[cyclopropyl(8-quinolylmethyl)…

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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) 0.40 9.11 -34.4 1 4 0 57 256.305 5 ↓

Analogs

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Popular Name: 2-[cyclopropyl-[(5-fluoro-8-quinolyl)methyl]amino]acetic 2-[cyclopropyl-[(5-fluoro-8-quin…

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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) 0.82 9.15 -34.14 1 4 0 57 274.295 5 ↓

Analogs

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Popular Name: 2-[cyclopropyl-[(6-fluoro-8-quinolyl)methyl]amino]acetic 2-[cyclopropyl-[(6-fluoro-8-quin…

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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) -0.46 9.1 -31.59 1 4 0 57 274.295 5 ↓

Analogs

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Popular Name: 2-[(5-amino-8-quinolyl)methyl-cyclopropyl-amino]ethanol 2-[(5-amino-8-quinolyl)methyl-cy…

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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) 1.17 3.8 -28.71 4 4 1 64 258.345 5 ↓
Lo Low (pH 4.5-6) 1.17 4.21 -85.59 5 4 2 65 259.353 5 ↓

Parameters Provided:

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

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