UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

37853429
37853429

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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) 1.41 5.69 -56.47 3 5 1 70 314.409 8 ↓
Mid Mid (pH 6-8) 1.41 6.29 -109.45 4 5 2 71 315.417 8 ↓

Analogs

37853429
37853429

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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) 1.41 5.96 -59.67 3 5 1 70 314.409 8 ↓
Mid Mid (pH 6-8) 1.41 6.29 -111.76 4 5 2 71 315.417 8 ↓

Analogs

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Popular Name: (1S)-N-methyl-1-(4-propoxyphenyl)-N-[2-(4-pyridyl)ethyl]ethane-1,2-diamine (1S)-N-methyl-1-(4-propoxyphenyl…

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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) 2.18 6.33 -53.06 3 4 1 53 314.453 9 ↓
Mid Mid (pH 6-8) 2.18 6.57 -103.91 4 4 2 54 315.461 9 ↓

Analogs

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Popular Name: (1R)-N-methyl-1-(4-propoxyphenyl)-N-[2-(4-pyridyl)ethyl]ethane-1,2-diamine (1R)-N-methyl-1-(4-propoxyphenyl…

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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) 2.18 6.17 -52.95 3 4 1 53 314.453 9 ↓
Mid Mid (pH 6-8) 2.18 6.63 -104.81 4 4 2 54 315.461 9 ↓

Analogs

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Popular Name: (1S)-N-methyl-1-(3-propoxyphenyl)-N-[2-(4-pyridyl)ethyl]ethane-1,2-diamine (1S)-N-methyl-1-(3-propoxyphenyl…

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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) 2.15 6.34 -50.79 3 4 1 53 314.453 9 ↓
Mid Mid (pH 6-8) 2.15 6.7 -90.1 4 4 2 54 315.461 9 ↓

Analogs

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Popular Name: (1R)-N-methyl-1-(3-propoxyphenyl)-N-[2-(4-pyridyl)ethyl]ethane-1,2-diamine (1R)-N-methyl-1-(3-propoxyphenyl…

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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) 2.15 6.17 -51.26 3 4 1 53 314.453 9 ↓
Mid Mid (pH 6-8) 2.15 6.43 -103.06 4 4 2 54 315.461 9 ↓

Analogs

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Popular Name: (1S)-N-methyl-1-(2-propoxyphenyl)-N-[2-(4-pyridyl)ethyl]ethane-1,2-diamine (1S)-N-methyl-1-(2-propoxyphenyl…

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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) 2.13 6.32 -46.43 3 4 1 53 314.453 9 ↓
Mid Mid (pH 6-8) 2.13 6.83 -98.81 4 4 2 54 315.461 9 ↓

Analogs

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Popular Name: (1R)-N-methyl-1-(2-propoxyphenyl)-N-[2-(4-pyridyl)ethyl]ethane-1,2-diamine (1R)-N-methyl-1-(2-propoxyphenyl…

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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) 2.13 6.35 -46.56 3 4 1 53 314.453 9 ↓
Mid Mid (pH 6-8) 2.13 6.82 -98.85 4 4 2 54 315.461 9 ↓

Analogs

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Popular Name: (1S)-1-(2-isopropoxyphenyl)-N-methyl-N-[2-(4-pyridyl)ethyl]ethane-1,2-diamine (1S)-1-(2-isopropoxyphenyl)-N-me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.99 6.2 -46.22 3 4 1 53 314.453 8 ↓
Mid Mid (pH 6-8) 1.99 6.66 -98.5 4 4 2 54 315.461 8 ↓

Analogs

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Popular Name: (1R)-1-(2-isopropoxyphenyl)-N-methyl-N-[2-(4-pyridyl)ethyl]ethane-1,2-diamine (1R)-1-(2-isopropoxyphenyl)-N-me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.99 6.08 -46.07 3 4 1 53 314.453 8 ↓
Mid Mid (pH 6-8) 1.99 6.56 -98.29 4 4 2 54 315.461 8 ↓

Analogs

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Popular Name: (1S)-1-(2,5-dimethoxyphenyl)-N-methyl-N-[2-(4-pyridyl)ethyl]ethane-1,2-diamine (1S)-1-(2,5-dimethoxyphenyl)-N-m…

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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) 1.28 3.94 -47.99 3 5 1 62 316.425 8 ↓
Mid Mid (pH 6-8) 1.29 4.43 -100.18 4 5 2 63 317.433 8 ↓

Analogs

32088339
32088339
32088344
32088344
32089340
32089340
32089344
32089344
36775970
36775970

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Popular Name: (1R)-1-(2,5-dimethoxyphenyl)-N-methyl-N-[2-(4-pyridyl)ethyl]ethane-1,2-diamine (1R)-1-(2,5-dimethoxyphenyl)-N-m…

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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) 1.28 3.88 -48.32 3 5 1 62 316.425 8 ↓
Mid Mid (pH 6-8) 1.29 4.39 -100.21 4 5 2 63 317.433 8 ↓

Analogs

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Popular Name: 4-[(1S)-2-amino-1-[methyl-[2-(4-pyridyl)ethyl]amino]ethyl]-2-ethoxy-phenol 4-[(1S)-2-amino-1-[methyl-[2-(4-…

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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) 0.96 3.34 -58.96 4 5 1 73 316.425 8 ↓
Mid Mid (pH 6-8) 0.96 3.78 -110.34 5 5 2 74 317.433 8 ↓

Analogs

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Popular Name: 4-[(1R)-2-amino-1-[methyl-[2-(4-pyridyl)ethyl]amino]ethyl]-2-ethoxy-phenol 4-[(1R)-2-amino-1-[methyl-[2-(4-…

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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) 0.96 3.06 -54.89 4 5 1 73 316.425 8 ↓
Mid Mid (pH 6-8) 0.96 3.5 -102.91 5 5 2 74 317.433 8 ↓

Analogs

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Popular Name: (1S)-1-(3,4-dimethoxyphenyl)-N-methyl-N-[2-(4-pyridyl)ethyl]ethane-1,2-diamine (1S)-1-(3,4-dimethoxyphenyl)-N-m…

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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) 0.89 4.33 -57.06 3 5 1 62 316.425 8 ↓
Mid Mid (pH 6-8) 0.89 5.07 -109.66 4 5 2 63 317.433 8 ↓

Analogs

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Popular Name: (1R)-1-(3,4-dimethoxyphenyl)-N-methyl-N-[2-(4-pyridyl)ethyl]ethane-1,2-diamine (1R)-1-(3,4-dimethoxyphenyl)-N-m…

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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) 0.89 4.24 -53.04 3 5 1 62 316.425 8 ↓
Mid Mid (pH 6-8) 0.89 4.87 -107.95 4 5 2 63 317.433 8 ↓

Analogs

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Popular Name: N,N-diethyl-4-[[2-(4-pyridyl)ethylamino]methyl]aniline N,N-diethyl-4-[[2-(4-pyridyl)eth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.87 8.32 -16.45 2 3 0 29 284.427 8 ↓
Mid Mid (pH 6-8) 2.87 9.57 -46.89 2 3 1 33 284.427 8 ↓
Mid Mid (pH 6-8) 2.87 8.77 -56.96 3 3 0 31 285.435 8 ↓

Analogs

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Popular Name: N-[(4-methoxyphenyl)methyl]-N-methyl-2-(4-pyridyl)ethanamine N-[(4-methoxyphenyl)methyl]-N-me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.31 6.04 -6.11 0 3 0 25 256.349 6 ↓
Mid Mid (pH 6-8) 2.31 6.49 -35.21 1 3 1 27 257.357 6 ↓
Mid Mid (pH 6-8) 2.31 8.36 -46.79 1 3 1 27 257.357 6 ↓

Analogs

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Popular Name: N-methyl-N-[[3-(methylaminomethyl)phenyl]methyl]-2-(4-pyridyl)ethanamine N-methyl-N-[[3-(methylaminomethy…

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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 6.63 -41.77 2 3 1 33 270.4 7 ↓
Mid Mid (pH 6-8) 1.79 7.09 -80.35 3 3 2 34 271.408 7 ↓

Analogs

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Popular Name: N-[[3-(ethylaminomethyl)phenyl]methyl]-N-methyl-2-(4-pyridyl)ethanamine N-[[3-(ethylaminomethyl)phenyl]m…

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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 7.49 -40.95 2 3 1 33 284.427 8 ↓
Mid Mid (pH 6-8) 2.17 7.95 -79.61 3 3 2 34 285.435 8 ↓

Analogs

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Popular Name: N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]-2-(4-pyridyl)ethanamine N-methyl-N-[[4-(methylaminomethy…

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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 6.64 -41.79 2 3 1 33 270.4 7 ↓
Mid Mid (pH 6-8) 1.82 7.1 -77.24 3 3 2 34 271.408 7 ↓

Analogs

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Popular Name: N-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]-2-(4-pyridyl)ethanamine N-methyl-N-[[2-(methylaminomethy…

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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) 1.77 8.64 -41.47 2 3 1 33 270.4 7 ↓
Mid Mid (pH 6-8) 1.77 9.1 -89 3 3 2 34 271.408 7 ↓

Analogs

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Popular Name: N-[[2-(ethylaminomethyl)phenyl]methyl]-N-methyl-2-(4-pyridyl)ethanamine N-[[2-(ethylaminomethyl)phenyl]m…

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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) 2.14 9.07 -40.82 2 3 1 33 284.427 8 ↓
Mid Mid (pH 6-8) 2.14 9.53 -89.08 3 3 2 34 285.435 8 ↓

Analogs

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Popular Name: (2S)-2-phenyl-2-[2-(4-pyridyl)ethylamino]ethanol (2S)-2-phenyl-2-[2-(4-pyridyl)et…

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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) 1.56 3.7 -6.22 2 3 0 45 242.322 6 ↓
Mid Mid (pH 6-8) 1.56 4.16 -35.13 3 3 1 46 243.33 6 ↓

Analogs

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Popular Name: (2R)-2-phenyl-2-[2-(4-pyridyl)ethylamino]ethanol (2R)-2-phenyl-2-[2-(4-pyridyl)et…

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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) 1.56 3.6 -6.05 2 3 0 45 242.322 6 ↓
Mid Mid (pH 6-8) 1.56 4.05 -34.64 3 3 1 46 243.33 6 ↓

Analogs

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Popular Name: 2-fluoro-4-[[methyl-[2-(4-pyridyl)ethyl]amino]methyl]aniline 2-fluoro-4-[[methyl-[2-(4-pyridy…

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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) 1.83 4.71 -6.06 2 3 0 42 259.328 5 ↓
Mid Mid (pH 6-8) 1.83 5.16 -35.23 3 3 1 43 260.336 5 ↓
Mid Mid (pH 6-8) 1.83 7.03 -46.68 3 3 1 43 260.336 5 ↓

Analogs

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Popular Name: N-[(2,5-dimethoxyphenyl)methyl]-2-(4-pyridyl)ethanamine N-[(2,5-dimethoxyphenyl)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) 2.05 4.53 -7.04 1 4 0 43 272.348 7 ↓
Mid Mid (pH 6-8) 2.05 4.99 -34.49 2 4 1 45 273.356 7 ↓
Lo Low (pH 4.5-6) 2.05 5.92 -44.95 2 4 1 48 273.356 7 ↓

Analogs

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Popular Name: (1S)-N-methyl-1-phenyl-N-[2-(4-pyridyl)ethyl]propane-1,3-diamine (1S)-N-methyl-1-phenyl-N-[2-(4-p…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.51 5.36 -50.59 3 3 1 44 270.4 7 ↓
Mid Mid (pH 6-8) 1.51 5.82 -98.42 4 3 2 45 271.408 7 ↓
Lo Low (pH 4.5-6) 1.51 7.65 -120.23 4 3 2 45 271.408 7 ↓

Analogs

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Popular Name: (1R)-N-methyl-1-phenyl-N-[2-(4-pyridyl)ethyl]propane-1,3-diamine (1R)-N-methyl-1-phenyl-N-[2-(4-p…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.51 5.62 -46.49 3 3 1 44 270.4 7 ↓
Mid Mid (pH 6-8) 1.51 6.08 -92.16 4 3 2 45 271.408 7 ↓
Lo Low (pH 4.5-6) 1.51 7.63 -119.04 4 3 2 45 271.408 7 ↓

Analogs

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Popular Name: (3R)-3-phenyl-3-[2-(4-pyridyl)ethylamino]propanenitrile (3R)-3-phenyl-3-[2-(4-pyridyl)et…

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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) 0.75 7.02 -9.21 1 3 0 49 251.333 6 ↓
Mid Mid (pH 6-8) 0.75 7.48 -34.09 2 3 1 50 252.341 6 ↓

Analogs

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Popular Name: (3S)-3-phenyl-3-[2-(4-pyridyl)ethylamino]propanenitrile (3S)-3-phenyl-3-[2-(4-pyridyl)et…

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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) 0.75 7 -8.48 1 3 0 49 251.333 6 ↓
Mid Mid (pH 6-8) 0.75 7.46 -33.28 2 3 1 50 252.341 6 ↓

Analogs

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Popular Name: (3S)-3-[methyl-[2-(4-pyridyl)ethyl]amino]-3-phenyl-propanenitrile (3S)-3-[methyl-[2-(4-pyridyl)eth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.90 7.69 -8.72 0 3 0 40 265.36 6 ↓
Mid Mid (pH 6-8) 1.90 8.15 -33.74 1 3 1 41 266.368 6 ↓

Analogs

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Popular Name: (3R)-3-[methyl-[2-(4-pyridyl)ethyl]amino]-3-phenyl-propanenitrile (3R)-3-[methyl-[2-(4-pyridyl)eth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.90 7.65 -8.81 0 3 0 40 265.36 6 ↓
Mid Mid (pH 6-8) 1.90 8.11 -34.2 1 3 1 41 266.368 6 ↓

Analogs

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Popular Name: (3S)-3-[methyl-[2-(4-pyridyl)ethyl]amino]-3-phenyl-propanamidine (3S)-3-[methyl-[2-(4-pyridyl)eth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.80 4.63 -40.1 4 4 1 68 283.399 7 ↓
Mid Mid (pH 6-8) 1.80 5.09 -78.8 5 4 2 69 284.407 7 ↓

Analogs

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Popular Name: (3S)-3-[methyl-[2-(4-pyridyl)ethyl]amino]-3-phenyl-propanethioamide (3S)-3-[methyl-[2-(4-pyridyl)eth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.63 7.17 -8.92 2 3 0 42 299.443 7 ↓
Mid Mid (pH 6-8) 1.63 7.63 -39.9 3 3 1 43 300.451 7 ↓

Analogs

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Popular Name: (3R)-3-[methyl-[2-(4-pyridyl)ethyl]amino]-3-phenyl-propanethioamide (3R)-3-[methyl-[2-(4-pyridyl)eth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.63 6.89 -9.11 2 3 0 42 299.443 7 ↓
Mid Mid (pH 6-8) 1.63 7.35 -40.75 3 3 1 43 300.451 7 ↓

Analogs

43389780
43389780

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Popular Name: N-[(3,4-difluorophenyl)methyl]-N-methyl-2-(4-pyridyl)ethanamine N-[(3,4-difluorophenyl)methyl]-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) 2.51 6.86 -7.09 0 2 0 16 262.303 5 ↓
Mid Mid (pH 6-8) 2.51 7.32 -37.72 1 2 1 17 263.311 5 ↓
Lo Low (pH 4.5-6) 2.51 9.18 -54.28 1 2 1 17 263.311 5 ↓

Analogs

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Popular Name: N-[[3-(difluoromethoxy)-4-methoxy-phenyl]methyl]-N-methyl-2-(4-pyridyl)ethanamine N-[[3-(difluoromethoxy)-4-methox…

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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) 2.46 6.22 -9.69 0 4 0 35 322.355 8 ↓
Mid Mid (pH 6-8) 2.46 8.56 -48.5 1 4 1 36 323.363 8 ↓
Mid Mid (pH 6-8) 2.46 6.68 -38.81 1 4 1 36 323.363 8 ↓

Analogs

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Popular Name: N-[(2,5-dimethylphenyl)methyl]-2-(4-pyridyl)ethanamine N-[(2,5-dimethylphenyl)methyl]-2…

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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) 2.84 7.13 -5.07 1 2 0 25 240.35 5 ↓
Mid Mid (pH 6-8) 2.84 7.59 -33.71 2 2 1 26 241.358 5 ↓

Analogs

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Popular Name: N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-2-(4-pyridyl)ethanamine N-[[2-(aminomethyl)phenyl]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) 1.39 6.78 -46.52 3 3 1 44 256.373 6 ↓
Mid Mid (pH 6-8) 1.39 7.24 -93.63 4 3 2 45 257.381 6 ↓

Analogs

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Popular Name: 4-[(1S)-1-[2-(4-pyridyl)ethylamino]ethyl]benzonitrile 4-[(1S)-1-[2-(4-pyridyl)ethylami…

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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) 2.33 7.17 -7.57 1 3 0 49 251.333 5 ↓
Mid Mid (pH 6-8) 2.33 7.63 -37.45 2 3 1 50 252.341 5 ↓

Analogs

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Popular Name: 4-[(1R)-1-[2-(4-pyridyl)ethylamino]ethyl]benzonitrile 4-[(1R)-1-[2-(4-pyridyl)ethylami…

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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) 2.33 7.17 -8.18 1 3 0 49 251.333 5 ↓
Mid Mid (pH 6-8) 2.33 7.63 -38.22 2 3 1 50 252.341 5 ↓

Analogs

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Popular Name: N-[(3-fluoro-4-methoxy-phenyl)methyl]-2-(4-pyridyl)ethanamine N-[(3-fluoro-4-methoxy-phenyl)me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.16 5.29 -8.83 1 3 0 34 260.312 6 ↓
Mid Mid (pH 6-8) 2.16 5.75 -38.04 2 3 1 35 261.32 6 ↓

Analogs

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Popular Name: (1S)-1-(4-methylsulfonylphenyl)-N-[2-(4-pyridyl)ethyl]ethanamine (1S)-1-(4-methylsulfonylphenyl)-…

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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) 1.44 4.32 -13.15 1 4 0 59 304.415 6 ↓
Mid Mid (pH 6-8) 1.44 4.78 -42.8 2 4 1 60 305.423 6 ↓

Analogs

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Popular Name: (1R)-1-(4-methylsulfonylphenyl)-N-[2-(4-pyridyl)ethyl]ethanamine (1R)-1-(4-methylsulfonylphenyl)-…

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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) 1.44 4.33 -13.78 1 4 0 59 304.415 6 ↓
Mid Mid (pH 6-8) 1.44 4.79 -42.7 2 4 1 60 305.423 6 ↓

Analogs

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Popular Name: (1S)-1-(3-bromo-4-methoxy-phenyl)-N-[2-(4-pyridyl)ethyl]ethanamine (1S)-1-(3-bromo-4-methoxy-phenyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.36 6.74 -6.55 1 3 0 34 335.245 6 ↓
Mid Mid (pH 6-8) 3.36 7.19 -35.5 2 3 1 35 336.253 6 ↓

Analogs

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Popular Name: (1R)-1-(3-bromo-4-methoxy-phenyl)-N-[2-(4-pyridyl)ethyl]ethanamine (1R)-1-(3-bromo-4-methoxy-phenyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.36 6.75 -7.33 1 3 0 34 335.245 6 ↓
Mid Mid (pH 6-8) 3.36 7.21 -36.56 2 3 1 35 336.253 6 ↓

Parameters Provided:

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Structural Results Found: (before additional filtering)

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