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Analogs

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Popular Name: (1R)-N-cyclopropyl-N-ethyl-1-(6-quinolyl)ethane-1,2-diamine (1R)-N-cyclopropyl-N-ethyl-1-(6-…

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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) 1.45 4.22 -50.47 3 3 1 44 256.373 5 ↓
Mid Mid (pH 6-8) 1.45 6.29 -131.42 4 3 2 45 257.381 5 ↓

Analogs

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Popular Name: (1S)-N-cyclopropyl-N-ethyl-1-(6-quinolyl)ethane-1,2-diamine (1S)-N-cyclopropyl-N-ethyl-1-(6-…

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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) 1.45 4.25 -48.27 3 3 1 44 256.373 5 ↓
Mid Mid (pH 6-8) 1.45 6.15 -128.39 4 3 2 45 257.381 5 ↓

Analogs

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Popular Name: (1R)-N-cyclopropyl-N-methyl-1-(6-quinolyl)ethane-1,2-diamine (1R)-N-cyclopropyl-N-methyl-1-(6…

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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) 1.07 4.21 -49.7 3 3 1 44 242.346 4 ↓
Lo Low (pH 4.5-6) 1.07 6.09 -123.9 4 3 2 45 243.354 4 ↓

Analogs

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Popular Name: (1S)-N-cyclopropyl-N-methyl-1-(6-quinolyl)ethane-1,2-diamine (1S)-N-cyclopropyl-N-methyl-1-(6…

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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) 1.07 4.05 -51.38 3 3 1 44 242.346 4 ↓
Lo Low (pH 4.5-6) 1.07 5.79 -133.26 4 3 2 45 243.354 4 ↓

Analogs

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Popular Name: (1R)-N-cyclopropyl-N-propyl-1-(6-quinolyl)ethane-1,2-diamine (1R)-N-cyclopropyl-N-propyl-1-(6…

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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) 1.95 4.97 -51.01 3 3 1 44 270.4 6 ↓
Mid Mid (pH 6-8) 1.95 7.04 -133.27 4 3 2 45 271.408 6 ↓

Analogs

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Popular Name: (1S)-N-cyclopropyl-N-propyl-1-(6-quinolyl)ethane-1,2-diamine (1S)-N-cyclopropyl-N-propyl-1-(6…

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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) 1.95 5.38 -51.96 3 3 1 44 270.4 6 ↓
Mid Mid (pH 6-8) 1.95 7.2 -134.49 4 3 2 45 271.408 6 ↓

Analogs

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Popular Name: (1R)-N-butyl-N-cyclopropyl-1-(6-quinolyl)ethane-1,2-diamine (1R)-N-butyl-N-cyclopropyl-1-(6-…

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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 5.76 -51.23 3 3 1 44 284.427 7 ↓
Mid Mid (pH 6-8) 2.51 7.82 -134.72 4 3 2 45 285.435 7 ↓

Analogs

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Popular Name: (1S)-N-butyl-N-cyclopropyl-1-(6-quinolyl)ethane-1,2-diamine (1S)-N-butyl-N-cyclopropyl-1-(6-…

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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 6.16 -52.58 3 3 1 44 284.427 7 ↓
Mid Mid (pH 6-8) 2.51 7.97 -136.23 4 3 2 45 285.435 7 ↓

Analogs

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Popular Name: (1R)-N-cyclopropyl-N-(2-methoxyethyl)-1-(6-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) 1.06 3.74 -48.15 3 4 1 53 286.399 7 ↓
Lo Low (pH 4.5-6) 1.06 5.42 -126.7 4 4 2 54 287.407 7 ↓

Analogs

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Popular Name: (1S)-N-cyclopropyl-N-(2-methoxyethyl)-1-(6-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) 1.06 4.06 -48.17 3 4 1 53 286.399 7 ↓
Lo Low (pH 4.5-6) 1.06 5.61 -126.13 4 4 2 54 287.407 7 ↓

Analogs

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Popular Name: (1R)-N-cyclopropyl-N-isobutyl-1-(6-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) 2.20 6.21 -54.33 3 3 1 44 284.427 6 ↓
Mid Mid (pH 6-8) 2.20 7.68 -132.75 4 3 2 45 285.435 6 ↓

Analogs

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Popular Name: (1S)-N-cyclopropyl-N-isobutyl-1-(6-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) 2.20 6.04 -53.37 3 3 1 44 284.427 6 ↓
Mid Mid (pH 6-8) 2.20 7.87 -133.25 4 3 2 45 285.435 6 ↓

Analogs

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Popular Name: (1S)-N-cyclopropyl-1-(6-quinolyl)ethane-1,2-diamine (1S)-N-cyclopropyl-1-(6-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) 0.83 3.5 -53.86 4 3 1 53 228.319 4 ↓
Mid Mid (pH 6-8) 0.83 4.52 -139.05 5 3 2 57 229.327 4 ↓
Mid Mid (pH 6-8) 0.83 4.1 -37.67 4 3 1 56 228.319 4 ↓

Analogs

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Popular Name: (1R)-N-cyclopropyl-1-(6-quinolyl)ethane-1,2-diamine (1R)-N-cyclopropyl-1-(6-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) 0.83 3.53 -47.64 4 3 1 53 228.319 4 ↓
Mid Mid (pH 6-8) 0.83 3.92 -41.99 4 3 1 56 228.319 4 ↓
Mid Mid (pH 6-8) 0.83 4.28 -130.04 5 3 2 57 229.327 4 ↓

Analogs

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Popular Name: (2S)-2-(cyclopropylamino)-2-(6-quinolyl)acetonitrile (2S)-2-(cyclopropylamino)-2-(6-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) 1.81 5.58 -9.86 1 3 0 49 223.279 3 ↓
Lo Low (pH 4.5-6) 1.81 6.61 -51.07 2 3 1 53 224.287 3 ↓

Analogs

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Popular Name: (2R)-2-(cyclopropylamino)-2-(6-quinolyl)acetonitrile (2R)-2-(cyclopropylamino)-2-(6-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) 1.81 5.62 -10.57 1 3 0 49 223.279 3 ↓
Lo Low (pH 4.5-6) 1.81 6.61 -51.05 2 3 1 53 224.287 3 ↓

Analogs

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Popular Name: (2S)-2-(cyclopropylamino)-2-(6-quinolyl)acetamide (2S)-2-(cyclopropylamino)-2-(6-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) 0.76 3.06 -42.62 4 4 1 73 242.302 4 ↓
Mid Mid (pH 6-8) 0.76 2.1 -11.26 3 4 0 68 241.294 4 ↓
Lo Low (pH 4.5-6) 0.76 3.5 -90.08 5 4 2 74 243.31 4 ↓

Analogs

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Popular Name: (2R)-2-(cyclopropylamino)-2-(6-quinolyl)acetamide (2R)-2-(cyclopropylamino)-2-(6-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) 0.76 3.04 -43.32 4 4 1 73 242.302 4 ↓
Mid Mid (pH 6-8) 0.76 2.18 -12.74 3 4 0 68 241.294 4 ↓
Lo Low (pH 4.5-6) 0.76 3.48 -90.49 5 4 2 74 243.31 4 ↓

Analogs

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Popular Name: (2S)-2-(cyclopropylamino)-2-(6-quinolyl)acetic (2S)-2-(cyclopropylamino)-2-(6-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) 1.27 7.02 -34.83 2 4 0 70 242.278 4 ↓
Lo Low (pH 4.5-6) 1.27 7.46 -64.01 3 4 1 71 243.286 4 ↓

Analogs

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Popular Name: (2R)-2-(cyclopropylamino)-2-(6-quinolyl)acetic (2R)-2-(cyclopropylamino)-2-(6-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) 1.27 6.9 -33.74 2 4 0 70 242.278 4 ↓
Lo Low (pH 4.5-6) 1.27 7.34 -62.41 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) 1.89 6.18 -9.91 1 4 0 51 256.305 5 ↓
Mid Mid (pH 6-8) 1.89 7.02 -41.63 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) 1.89 6.06 -8.6 1 4 0 51 256.305 5 ↓
Mid Mid (pH 6-8) 1.89 7.06 -41.07 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) 2.26 6.47 -7.39 1 4 0 51 270.332 6 ↓
Mid Mid (pH 6-8) 2.26 7.95 -41.21 2 4 1 56 271.34 6 ↓
Lo Low (pH 4.5-6) 2.26 8.38 -87.79 3 4 2 57 272.348 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) 2.26 7 -9.19 1 4 0 51 270.332 6 ↓
Mid Mid (pH 6-8) 2.26 7.99 -40.64 2 4 1 56 271.34 6 ↓
Lo Low (pH 4.5-6) 2.26 8.42 -87.03 3 4 2 57 272.348 6 ↓

Analogs

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Popular Name: (2S)-2-[acetyl(cyclopropyl)amino]-2-(6-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) 0.88 7.51 -47.42 0 5 -1 73 283.307 4 ↓
Lo Low (pH 4.5-6) 0.88 7.98 -58.38 1 5 0 75 284.315 4 ↓

Analogs

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Popular Name: (2R)-2-[acetyl(cyclopropyl)amino]-2-(6-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) 0.88 7.42 -46.93 0 5 -1 73 283.307 4 ↓
Lo Low (pH 4.5-6) 0.88 8.02 -60.31 1 5 0 75 284.315 4 ↓

Analogs

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Popular Name: (2S)-2-[cyclopropyl(formyl)amino]-2-(6-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) 0.90 8.3 -59.7 0 5 -1 73 269.28 4 ↓
Lo Low (pH 4.5-6) 0.90 8.74 -65.38 1 5 0 75 270.288 4 ↓

Analogs

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Popular Name: (2R)-2-[cyclopropyl(formyl)amino]-2-(6-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) 0.90 8.49 -58.67 0 5 -1 73 269.28 4 ↓
Lo Low (pH 4.5-6) 0.90 8.92 -65.95 1 5 0 75 270.288 4 ↓

Analogs

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Popular Name: (2S)-2-(cyclopropylamino)-2-(6-quinolyl)ethanol (2S)-2-(cyclopropylamino)-2-(6-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) 1.39 3.87 -40.78 3 3 1 50 229.303 4 ↓
Hi High (pH 8-9.5) 1.39 2.87 -8.11 2 3 0 45 228.295 4 ↓

Analogs

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Popular Name: (2R)-2-(cyclopropylamino)-2-(6-quinolyl)ethanol (2R)-2-(cyclopropylamino)-2-(6-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) 1.39 3.84 -41.15 3 3 1 50 229.303 4 ↓
Hi High (pH 8-9.5) 1.39 2.77 -7.84 2 3 0 45 228.295 4 ↓

Analogs

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Popular Name: 2-[cyclopropyl(6-quinolylmethyl)amino]acetic 2-[cyclopropyl(6-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) 0.42 8.75 -38.58 1 4 0 57 256.305 5 ↓

Parameters Provided:

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