UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (2S)-1-(4-fluorophenyl)-N-[(1S)-1-(3-pyridyl)ethyl]propan-2-amine (2S)-1-(4-fluorophenyl)-N-[(1S)-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.12 8.47 -42.93 2 2 1 29 259.348 5 ↓
Mid Mid (pH 6-8) 3.12 7.56 -5.54 1 2 0 25 258.34 5 ↓

Analogs

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Popular Name: (2R)-1-(4-fluorophenyl)-N-[(1S)-1-(3-pyridyl)ethyl]propan-2-amine (2R)-1-(4-fluorophenyl)-N-[(1S)-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.12 8.4 -44.13 2 2 1 29 259.348 5 ↓
Mid Mid (pH 6-8) 3.12 7.7 -6.26 1 2 0 25 258.34 5 ↓

Analogs

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Popular Name: (2S)-1-(4-fluorophenyl)-N-[(1R)-1-(3-pyridyl)ethyl]propan-2-amine (2S)-1-(4-fluorophenyl)-N-[(1R)-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.12 8.42 -44.23 2 2 1 29 259.348 5 ↓
Mid Mid (pH 6-8) 3.12 7.55 -4.57 1 2 0 25 258.34 5 ↓

Analogs

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Popular Name: (2R)-1-(4-fluorophenyl)-N-[(1R)-1-(3-pyridyl)ethyl]propan-2-amine (2R)-1-(4-fluorophenyl)-N-[(1R)-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.12 8.47 -42.95 2 2 1 29 259.348 5 ↓
Mid Mid (pH 6-8) 3.12 7.68 -5.28 1 2 0 25 258.34 5 ↓

Analogs

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Popular Name: (1R)-N-[2-(4-chlorophenyl)ethyl]-1-(3-pyridyl)ethanamine (1R)-N-[2-(4-chlorophenyl)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) 3.30 7.25 -5.35 1 2 0 25 260.768 5 ↓
Mid Mid (pH 6-8) 3.30 8.48 -49.7 2 2 1 29 261.776 5 ↓

Analogs

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Popular Name: (1S)-N-[2-(4-chlorophenyl)ethyl]-1-(3-pyridyl)ethanamine (1S)-N-[2-(4-chlorophenyl)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) 3.30 7.22 -4.56 1 2 0 25 260.768 5 ↓
Mid Mid (pH 6-8) 3.30 8.48 -49.69 2 2 1 29 261.776 5 ↓

Analogs

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Popular Name: (2S)-N1-methyl-2-phenyl-N1-(3-pyridylmethyl)propane-1,2-diamine (2S)-N1-methyl-2-phenyl-N1-(3-py…

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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) 1.94 4.73 -42.89 3 3 1 44 256.373 5 ↓
Hi High (pH 8-9.5) 1.94 4.5 -4.12 2 3 0 42 255.365 5 ↓
Lo Low (pH 4.5-6) 1.94 7.19 -39.64 3 3 1 43 256.373 5 ↓

Analogs

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Popular Name: (2R)-N1-methyl-2-phenyl-N1-(3-pyridylmethyl)propane-1,2-diamine (2R)-N1-methyl-2-phenyl-N1-(3-py…

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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) 1.94 4.81 -45.55 3 3 1 44 256.373 5 ↓
Hi High (pH 8-9.5) 1.94 5.24 -4.53 2 3 0 42 255.365 5 ↓
Lo Low (pH 4.5-6) 1.94 6.38 -40.33 3 3 1 43 256.373 5 ↓

Analogs

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Popular Name: 3-[2-(2-aminophenyl)ethyl-(3-pyridylmethyl)amino]propanenitrile 3-[2-(2-aminophenyl)ethyl-(3-pyr…

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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) 1.20 6.12 -10.28 2 4 0 66 280.375 7 ↓
Mid Mid (pH 6-8) 1.20 8.21 -59.04 3 4 1 67 281.383 7 ↓

Analogs

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Popular Name: 2-[2-[methyl(3-pyridylmethyl)amino]ethyl]aniline 2-[2-[methyl(3-pyridylmethyl)ami…

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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) 1.74 6.94 -43.23 3 3 1 43 242.346 5 ↓
Mid Mid (pH 6-8) 1.74 4.62 -5.08 2 3 0 42 241.338 5 ↓

Analogs

32112785
32112785
32112786
32112786
32112798
32112798

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Popular Name: 2-(2,4-dichlorophenyl)-N-(3-pyridylmethyl)ethanamine 2-(2,4-dichlorophenyl)-N-(3-pyri…

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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) 3.35 6.73 -6.14 1 2 0 25 281.186 5 ↓
Lo Low (pH 4.5-6) 3.35 8.43 -109.59 3 2 2 31 283.202 5 ↓
Lo Low (pH 4.5-6) 3.35 7.17 -34.54 2 2 1 26 282.194 5 ↓

Analogs

53131512
53131512
53131517
53131517
53132011
53132011
53132013
53132013

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Popular Name: (2S)-1-(4-fluorophenyl)-N-(3-pyridylmethyl)propan-2-amine (2S)-1-(4-fluorophenyl)-N-(3-pyr…

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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) 2.56 7.89 -45.2 2 2 1 29 245.321 5 ↓
Mid Mid (pH 6-8) 2.56 6.69 -5.07 1 2 0 25 244.313 5 ↓

Analogs

53131512
53131512
53131517
53131517
53132011
53132011
53132013
53132013

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Popular Name: (2R)-1-(4-fluorophenyl)-N-(3-pyridylmethyl)propan-2-amine (2R)-1-(4-fluorophenyl)-N-(3-pyr…

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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) 2.56 7.89 -46.13 2 2 1 29 245.321 5 ↓
Mid Mid (pH 6-8) 2.56 6.85 -6.1 1 2 0 25 244.313 5 ↓

Analogs

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Popular Name: (1R)-2-[(6-methyl-3-pyridyl)methylamino]-1-phenyl-ethanol (1R)-2-[(6-methyl-3-pyridyl)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) 1.13 3.44 -6.64 2 3 0 45 242.322 5 ↓
Lo Low (pH 4.5-6) 1.13 4.82 -47.58 3 3 1 50 243.33 5 ↓
Lo Low (pH 4.5-6) 1.13 3.88 -30.58 3 3 1 46 243.33 5 ↓

Analogs

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Popular Name: (1S)-2-[(6-methyl-3-pyridyl)methylamino]-1-phenyl-ethanol (1S)-2-[(6-methyl-3-pyridyl)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) 1.13 3.33 -6.88 2 3 0 45 242.322 5 ↓
Lo Low (pH 4.5-6) 1.13 4.74 -47.75 3 3 1 50 243.33 5 ↓
Lo Low (pH 4.5-6) 1.13 3.77 -30.83 3 3 1 46 243.33 5 ↓

Analogs

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Popular Name: (1R)-1-(4-fluorophenyl)-2-[(6-methyl-3-pyridyl)methylamino]ethanol (1R)-1-(4-fluorophenyl)-2-[(6-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) 1.29 3.51 -7.62 2 3 0 45 260.312 5 ↓
Lo Low (pH 4.5-6) 1.29 4.89 -52.67 3 3 1 50 261.32 5 ↓
Lo Low (pH 4.5-6) 1.29 3.95 -32.87 3 3 1 46 261.32 5 ↓

Analogs

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Popular Name: (1S)-1-(4-fluorophenyl)-2-[(6-methyl-3-pyridyl)methylamino]ethanol (1S)-1-(4-fluorophenyl)-2-[(6-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) 1.29 3.4 -7.89 2 3 0 45 260.312 5 ↓
Lo Low (pH 4.5-6) 1.29 4.81 -52.76 3 3 1 50 261.32 5 ↓
Lo Low (pH 4.5-6) 1.29 3.84 -33.15 3 3 1 46 261.32 5 ↓

Analogs

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Popular Name: (1R)-1-(4-chlorophenyl)-2-[(6-methyl-3-pyridyl)methylamino]ethanol (1R)-1-(4-chlorophenyl)-2-[(6-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) 1.80 3.97 -6.99 2 3 0 45 276.767 5 ↓
Lo Low (pH 4.5-6) 1.80 5.34 -51.55 3 3 1 50 277.775 5 ↓
Lo Low (pH 4.5-6) 1.80 4.4 -32.04 3 3 1 46 277.775 5 ↓

Analogs

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Popular Name: (1S)-1-(4-chlorophenyl)-2-[(6-methyl-3-pyridyl)methylamino]ethanol (1S)-1-(4-chlorophenyl)-2-[(6-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) 1.80 3.85 -7.23 2 3 0 45 276.767 5 ↓
Lo Low (pH 4.5-6) 1.80 5.26 -51.6 3 3 1 50 277.775 5 ↓
Lo Low (pH 4.5-6) 1.80 4.29 -32.29 3 3 1 46 277.775 5 ↓

Analogs

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Popular Name: (1R)-1-(3-bromophenyl)-2-[(6-methyl-3-pyridyl)methylamino]ethanol (1R)-1-(3-bromophenyl)-2-[(6-met…

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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) 1.91 4.06 -7.33 2 3 0 45 321.218 5 ↓
Lo Low (pH 4.5-6) 1.91 4.5 -31.6 3 3 1 46 322.226 5 ↓

Analogs

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Popular Name: (1S)-1-(3-bromophenyl)-2-[(6-methyl-3-pyridyl)methylamino]ethanol (1S)-1-(3-bromophenyl)-2-[(6-met…

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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) 1.91 3.95 -7.25 2 3 0 45 321.218 5 ↓
Lo Low (pH 4.5-6) 1.91 4.38 -31.99 3 3 1 46 322.226 5 ↓

Analogs

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Popular Name: (1R)-1-(2-fluorophenyl)-2-[(6-methyl-3-pyridyl)methylamino]ethanol (1R)-1-(2-fluorophenyl)-2-[(6-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) 1.24 3.52 -8.48 2 3 0 45 260.312 5 ↓
Lo Low (pH 4.5-6) 1.24 3.96 -30.91 3 3 1 46 261.32 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(2-fluorophenyl)-2-[(6-methyl-3-pyridyl)methylamino]ethanol (1S)-1-(2-fluorophenyl)-2-[(6-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) 1.24 3.42 -7.66 2 3 0 45 260.312 5 ↓
Lo Low (pH 4.5-6) 1.24 3.86 -31.1 3 3 1 46 261.32 5 ↓

Analogs

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Popular Name: (1R)-1-(2-chlorophenyl)-2-[(6-methyl-3-pyridyl)methylamino]ethanol (1R)-1-(2-chlorophenyl)-2-[(6-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) 1.76 3.89 -7.57 2 3 0 45 276.767 5 ↓
Lo Low (pH 4.5-6) 1.76 4.33 -30.34 3 3 1 46 277.775 5 ↓

Analogs

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Popular Name: (1S)-1-(2-chlorophenyl)-2-[(6-methyl-3-pyridyl)methylamino]ethanol (1S)-1-(2-chlorophenyl)-2-[(6-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) 1.76 3.81 -7.03 2 3 0 45 276.767 5 ↓
Lo Low (pH 4.5-6) 1.76 4.25 -30.56 3 3 1 46 277.775 5 ↓

Analogs

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Popular Name: (1R)-1-(2,5-dichlorophenyl)-2-[(6-methyl-3-pyridyl)methylamino]ethanol (1R)-1-(2,5-dichlorophenyl)-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) 2.41 4.4 -6.57 2 3 0 45 311.212 5 ↓
Lo Low (pH 4.5-6) 2.41 4.84 -30.29 3 3 1 46 312.22 5 ↓

Analogs

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Popular Name: (1S)-1-(2,5-dichlorophenyl)-2-[(6-methyl-3-pyridyl)methylamino]ethanol (1S)-1-(2,5-dichlorophenyl)-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) 2.41 4.32 -6.37 2 3 0 45 311.212 5 ↓
Lo Low (pH 4.5-6) 2.41 4.76 -30.41 3 3 1 46 312.22 5 ↓

Analogs

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Popular Name: (1R)-1-(2,4-difluorophenyl)-2-[(6-methyl-3-pyridyl)methylamino]ethanol (1R)-1-(2,4-difluorophenyl)-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) 1.38 3.58 -8.39 2 3 0 45 278.302 5 ↓
Lo Low (pH 4.5-6) 1.38 4.02 -32.34 3 3 1 46 279.31 5 ↓

Analogs

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Popular Name: (1S)-1-(2,4-difluorophenyl)-2-[(6-methyl-3-pyridyl)methylamino]ethanol (1S)-1-(2,4-difluorophenyl)-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) 1.38 3.48 -7.59 2 3 0 45 278.302 5 ↓
Lo Low (pH 4.5-6) 1.38 3.92 -32.52 3 3 1 46 279.31 5 ↓

Analogs

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Popular Name: (1R)-1-(2,5-difluorophenyl)-2-[(6-methyl-3-pyridyl)methylamino]ethanol (1R)-1-(2,5-difluorophenyl)-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) 1.38 3.58 -7.36 2 3 0 45 278.302 5 ↓
Lo Low (pH 4.5-6) 1.38 4.02 -30.94 3 3 1 46 279.31 5 ↓

Analogs

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Popular Name: (1S)-1-(2,5-difluorophenyl)-2-[(6-methyl-3-pyridyl)methylamino]ethanol (1S)-1-(2,5-difluorophenyl)-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) 1.38 3.48 -7.02 2 3 0 45 278.302 5 ↓
Lo Low (pH 4.5-6) 1.38 3.92 -31.1 3 3 1 46 279.31 5 ↓

Analogs

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Popular Name: (1R)-1-(3-fluorophenyl)-2-[(6-methyl-3-pyridyl)methylamino]ethanol (1R)-1-(3-fluorophenyl)-2-[(6-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) 1.27 3.51 -8.04 2 3 0 45 260.312 5 ↓
Lo Low (pH 4.5-6) 1.27 3.95 -32.43 3 3 1 46 261.32 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(3-fluorophenyl)-2-[(6-methyl-3-pyridyl)methylamino]ethanol (1S)-1-(3-fluorophenyl)-2-[(6-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) 1.27 3.4 -7.9 2 3 0 45 260.312 5 ↓
Lo Low (pH 4.5-6) 1.27 3.84 -32.88 3 3 1 46 261.32 5 ↓

Analogs

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Popular Name: (1R)-1-(4-methoxyphenyl)-2-[(6-methyl-3-pyridyl)methylamino]ethanol (1R)-1-(4-methoxyphenyl)-2-[(6-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) 1.18 2.74 -8.08 2 4 0 54 272.348 6 ↓
Mid Mid (pH 6-8) 1.18 4.12 -50.48 3 4 1 59 273.356 6 ↓
Lo Low (pH 4.5-6) 1.18 3.18 -32.59 3 4 1 56 273.356 6 ↓

Analogs

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Popular Name: (1S)-1-(4-methoxyphenyl)-2-[(6-methyl-3-pyridyl)methylamino]ethanol (1S)-1-(4-methoxyphenyl)-2-[(6-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) 1.18 2.63 -8.43 2 4 0 54 272.348 6 ↓
Mid Mid (pH 6-8) 1.18 4.03 -50.67 3 4 1 59 273.356 6 ↓
Lo Low (pH 4.5-6) 1.18 4.47 -110.78 4 4 2 60 274.364 6 ↓

Analogs

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Popular Name: (1R)-1-(3,4-difluorophenyl)-2-[(6-methyl-3-pyridyl)methylamino]ethanol (1R)-1-(3,4-difluorophenyl)-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) 1.38 3.57 -9.69 2 3 0 45 278.302 5 ↓
Lo Low (pH 4.5-6) 1.38 4 -35.32 3 3 1 46 279.31 5 ↓

Analogs

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Popular Name: (1S)-1-(3,4-difluorophenyl)-2-[(6-methyl-3-pyridyl)methylamino]ethanol (1S)-1-(3,4-difluorophenyl)-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) 1.38 3.45 -9.6 2 3 0 45 278.302 5 ↓
Lo Low (pH 4.5-6) 1.38 3.89 -35.78 3 3 1 46 279.31 5 ↓

Analogs

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Popular Name: (1S)-1-(2-methoxy-5-methyl-phenyl)-2-[(6-methyl-3-pyridyl)methylamino]ethanol (1S)-1-(2-methoxy-5-methyl-pheny…

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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 3.48 -8.14 2 4 0 54 286.375 6 ↓
Mid Mid (pH 6-8) 1.56 4.83 -44.81 3 4 1 59 287.383 6 ↓
Lo Low (pH 4.5-6) 1.56 5.26 -103.89 4 4 2 60 288.391 6 ↓

Analogs

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Popular Name: (1R)-1-(2-methoxy-5-methyl-phenyl)-2-[(6-methyl-3-pyridyl)methylamino]ethanol (1R)-1-(2-methoxy-5-methyl-pheny…

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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 3.46 -7.71 2 4 0 54 286.375 6 ↓
Mid Mid (pH 6-8) 1.56 4.88 -44.76 3 4 1 59 287.383 6 ↓
Lo Low (pH 4.5-6) 1.56 5.32 -104.29 4 4 2 60 288.391 6 ↓

Analogs

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Popular Name: (1R)-1-(4-isopropylphenyl)-2-[(6-methyl-3-pyridyl)methylamino]ethanol (1R)-1-(4-isopropylphenyl)-2-[(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) 2.64 5.38 -6.35 2 3 0 45 284.403 6 ↓
Lo Low (pH 4.5-6) 2.64 7.19 -107.5 4 3 2 51 286.419 6 ↓
Lo Low (pH 4.5-6) 2.64 6.75 -47.36 3 3 1 50 285.411 6 ↓

Analogs

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Popular Name: (1S)-1-(4-isopropylphenyl)-2-[(6-methyl-3-pyridyl)methylamino]ethanol (1S)-1-(4-isopropylphenyl)-2-[(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) 2.64 5.26 -6.56 2 3 0 45 284.403 6 ↓
Lo Low (pH 4.5-6) 2.64 6.67 -47.49 3 3 1 50 285.411 6 ↓
Lo Low (pH 4.5-6) 2.64 7.11 -107.4 4 3 2 51 286.419 6 ↓

Analogs

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Popular Name: (1R)-1-(2,6-difluorophenyl)-2-[(6-methyl-3-pyridyl)methylamino]ethanol (1R)-1-(2,6-difluorophenyl)-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) 1.36 3.62 -7.4 2 3 0 45 278.302 5 ↓
Lo Low (pH 4.5-6) 1.36 4.06 -29.61 3 3 1 46 279.31 5 ↓

Analogs

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Popular Name: (1S)-1-(2,6-difluorophenyl)-2-[(6-methyl-3-pyridyl)methylamino]ethanol (1S)-1-(2,6-difluorophenyl)-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) 1.36 3.53 -7.71 2 3 0 45 278.302 5 ↓
Lo Low (pH 4.5-6) 1.36 3.96 -29.78 3 3 1 46 279.31 5 ↓

Analogs

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Popular Name: N-methyl-N-[phenethyl(3-pyridylmethyl)sulfamoyl]butan-1-amine N-methyl-N-[phenethyl(3-pyridylm…

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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) 3.13 8.51 -11.68 0 5 0 54 361.511 10 ↓
Lo Low (pH 4.5-6) 3.13 8.98 -43.5 1 5 1 55 362.519 10 ↓

Analogs

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Popular Name: 3-allyl-1-phenethyl-1-(3-pyridylmethyl)urea 3-allyl-1-phenethyl-1-(3-pyridyl…

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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) 3.15 9.04 -12.01 1 4 0 45 295.386 7 ↓
Lo Low (pH 4.5-6) 3.15 9.51 -46.39 2 4 1 46 296.394 7 ↓

Analogs

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Popular Name: N-[2-oxo-2-[phenethyl(3-pyridylmethyl)amino]ethyl]butanamide N-[2-oxo-2-[phenethyl(3-pyridylm…

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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 8.41 -11.88 1 5 0 62 339.439 9 ↓
Lo Low (pH 4.5-6) 2.17 8.87 -45.67 2 5 1 64 340.447 9 ↓

Analogs

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Popular Name: 3-pyridinemethanamine, N-[2-(2-methylphenyl)ethyl]- 3-pyridinemethanamine, N-[2-(2-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) 2.46 7.72 -48.07 2 2 1 29 227.331 5 ↓
Mid Mid (pH 6-8) 2.46 6.36 -4.88 1 2 0 25 226.323 5 ↓

Analogs

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Popular Name: (1R)-N-[2-(4-fluorophenyl)ethyl]-1-(2,4,6-trimethyl-3-pyridyl)ethanamine (1R)-N-[2-(4-fluorophenyl)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) 3.99 9.74 -28.08 2 2 1 26 287.402 5 ↓
Mid Mid (pH 6-8) 3.99 9.36 -7.02 1 2 0 25 286.394 5 ↓
Mid Mid (pH 6-8) 3.99 10.09 -105.59 3 2 2 31 288.41 5 ↓

Analogs

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Popular Name: (1S)-N-[2-(4-fluorophenyl)ethyl]-1-(2,4,6-trimethyl-3-pyridyl)ethanamine (1S)-N-[2-(4-fluorophenyl)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) 3.99 9.5 -29.27 2 2 1 26 287.402 5 ↓
Mid Mid (pH 6-8) 3.99 9.1 -5.7 1 2 0 25 286.394 5 ↓
Mid Mid (pH 6-8) 3.99 10.06 -103.4 3 2 2 31 288.41 5 ↓

Analogs

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Popular Name: (1R)-N-[2-(2-fluorophenyl)ethyl]-1-(2,4,6-trimethyl-3-pyridyl)ethanamine (1R)-N-[2-(2-fluorophenyl)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) 3.94 9.7 -26.64 2 2 1 26 287.402 5 ↓
Mid Mid (pH 6-8) 3.94 9.32 -6.18 1 2 0 25 286.394 5 ↓
Lo Low (pH 4.5-6) 3.94 10.05 -96.57 3 2 2 31 288.41 5 ↓

Parameters Provided:

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