UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-bromo-4-[(thiazol-2-ylmethylamino)methyl]phenol 2-bromo-4-[(thiazol-2-ylmethylam…

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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) 2.08 1.87 -8.51 2 3 0 45 299.193 4 ↓
Hi High (pH 8-9.5) 2.08 2.64 -44.21 1 3 -1 48 298.185 4 ↓
Mid Mid (pH 6-8) 2.08 3.23 -48.5 3 3 1 50 300.201 4 ↓

Analogs

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Popular Name: (1R)-N-[(3,5-dichlorophenyl)methyl]-1-(4-methylthiazol-2-yl)ethanamine (1R)-N-[(3,5-dichlorophenyl)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) 3.62 6.37 -5.65 1 2 0 25 301.242 4 ↓
Mid Mid (pH 6-8) 3.62 7.56 -45.77 2 2 1 29 302.25 4 ↓

Analogs

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Popular Name: (1S)-N-[(3,5-dichlorophenyl)methyl]-1-(4-methylthiazol-2-yl)ethanamine (1S)-N-[(3,5-dichlorophenyl)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) 3.62 6.32 -4.62 1 2 0 25 301.242 4 ↓
Mid Mid (pH 6-8) 3.62 7.56 -45.83 2 2 1 29 302.25 4 ↓

Analogs

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Popular Name: 4-chloro-2-[[[(1R)-1-(4-methylthiazol-2-yl)ethyl]amino]methyl]phenol 4-chloro-2-[[[(1R)-1-(4-methylth…

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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) 2.93 3.06 -7.13 2 3 0 45 282.796 4 ↓
Hi High (pH 8-9.5) 2.93 3.81 -43.02 1 3 -1 48 281.788 4 ↓
Mid Mid (pH 6-8) 2.93 4.26 -40.9 3 3 1 50 283.804 4 ↓

Analogs

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Popular Name: 4-chloro-2-[[[(1S)-1-(4-methylthiazol-2-yl)ethyl]amino]methyl]phenol 4-chloro-2-[[[(1S)-1-(4-methylth…

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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) 2.93 3.01 -6.37 2 3 0 45 282.796 4 ↓
Hi High (pH 8-9.5) 2.93 3.77 -38.74 1 3 -1 48 281.788 4 ↓
Mid Mid (pH 6-8) 2.93 4.26 -41.01 3 3 1 50 283.804 4 ↓

Analogs

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Popular Name: 2,4-dichloro-6-[[[(1R)-1-(4-methylthiazol-2-yl)ethyl]amino]methyl]phenol 2,4-dichloro-6-[[[(1R)-1-(4-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) 3.33 3.61 -7.46 2 3 0 45 317.241 4 ↓
Hi High (pH 8-9.5) 3.33 4.35 -39.96 1 3 -1 48 316.233 4 ↓
Mid Mid (pH 6-8) 3.33 4.81 -44.2 3 3 1 50 318.249 4 ↓

Analogs

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Popular Name: 2,4-dichloro-6-[[[(1S)-1-(4-methylthiazol-2-yl)ethyl]amino]methyl]phenol 2,4-dichloro-6-[[[(1S)-1-(4-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) 3.33 3.56 -6.24 2 3 0 45 317.241 4 ↓
Hi High (pH 8-9.5) 3.33 4.31 -35.82 1 3 -1 48 316.233 4 ↓
Mid Mid (pH 6-8) 3.33 4.81 -43.97 3 3 1 50 318.249 4 ↓

Analogs

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Popular Name: 2-methoxy-6-[[[(1R)-1-(4-methylthiazol-2-yl)ethyl]amino]methyl]phenol 2-methoxy-6-[[[(1R)-1-(4-methylt…

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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) 1.88 3.72 -40.51 3 4 1 59 279.385 5 ↓
Mid Mid (pH 6-8) 1.88 2.52 -10.01 2 4 0 54 278.377 5 ↓

Analogs

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Popular Name: 2-methoxy-6-[[[(1S)-1-(4-methylthiazol-2-yl)ethyl]amino]methyl]phenol 2-methoxy-6-[[[(1S)-1-(4-methylt…

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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) 1.88 3.73 -39.8 3 4 1 59 279.385 5 ↓
Mid Mid (pH 6-8) 1.88 2.47 -8.18 2 4 0 54 278.377 5 ↓

Analogs

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Popular Name: (1S)-N-[(4-fluoro-2-methyl-phenyl)methyl]-1-(4-methylthiazol-2-yl)ethanamine (1S)-N-[(4-fluoro-2-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) 2.88 6.05 -6.64 1 2 0 25 264.369 4 ↓
Mid Mid (pH 6-8) 2.88 7.22 -44.36 2 2 1 29 265.377 4 ↓

Analogs

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Popular Name: (1R)-N-[(4-fluoro-2-methyl-phenyl)methyl]-1-(4-methylthiazol-2-yl)ethanamine (1R)-N-[(4-fluoro-2-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) 2.88 6 -5.46 1 2 0 25 264.369 4 ↓
Mid Mid (pH 6-8) 2.88 7.23 -44.4 2 2 1 29 265.377 4 ↓

Analogs

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Popular Name: 5-methoxy-2-[[[(1R)-1-(4-methylthiazol-2-yl)ethyl]amino]methyl]phenol 5-methoxy-2-[[[(1R)-1-(4-methylt…

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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 3.05 -41.99 3 4 1 59 279.385 5 ↓
Mid Mid (pH 6-8) 2.31 1.84 -9.6 2 4 0 54 278.377 5 ↓

Analogs

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Popular Name: 5-methoxy-2-[[[(1S)-1-(4-methylthiazol-2-yl)ethyl]amino]methyl]phenol 5-methoxy-2-[[[(1S)-1-(4-methylt…

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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 3.05 -41.51 3 4 1 59 279.385 5 ↓
Mid Mid (pH 6-8) 2.31 1.79 -8 2 4 0 54 278.377 5 ↓

Analogs

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Popular Name: (1S)-N-[(3-ethoxyphenyl)methyl]-1-(4-methylthiazol-2-yl)ethanamine (1S)-N-[(3-ethoxyphenyl)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) 2.75 5.59 -7.68 1 3 0 34 276.405 6 ↓
Mid Mid (pH 6-8) 2.75 6.77 -41.28 2 3 1 39 277.413 6 ↓

Analogs

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Popular Name: (1R)-N-[(3-ethoxyphenyl)methyl]-1-(4-methylthiazol-2-yl)ethanamine (1R)-N-[(3-ethoxyphenyl)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) 2.75 5.54 -6.01 1 3 0 34 276.405 6 ↓
Mid Mid (pH 6-8) 2.75 6.77 -40.86 2 3 1 39 277.413 6 ↓

Analogs

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Popular Name: (1S)-1-(4-methylthiazol-2-yl)-N-[(3-propoxyphenyl)methyl]ethanamine (1S)-1-(4-methylthiazol-2-yl)-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) 3.25 6.38 -7.44 1 3 0 34 290.432 7 ↓
Mid Mid (pH 6-8) 3.25 7.57 -41.19 2 3 1 39 291.44 7 ↓

Analogs

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Popular Name: (1R)-1-(4-methylthiazol-2-yl)-N-[(3-propoxyphenyl)methyl]ethanamine (1R)-1-(4-methylthiazol-2-yl)-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) 3.25 6.34 -5.79 1 3 0 34 290.432 7 ↓
Mid Mid (pH 6-8) 3.25 7.57 -40.75 2 3 1 39 291.44 7 ↓

Analogs

43391358
43391358
43391359
43391359
43391380
43391380
43391382
43391382

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Popular Name: (1R)-N-[(4-chloro-3-fluoro-phenyl)methyl]-1-(4-methylthiazol-2-yl)ethanamine (1R)-N-[(4-chloro-3-fluoro-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) 3.11 5.93 -8.02 1 2 0 25 284.787 4 ↓
Mid Mid (pH 6-8) 3.11 7.12 -49.4 2 2 1 29 285.795 4 ↓

Analogs

43391358
43391358
43391359
43391359
43391380
43391380
43391382
43391382

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Popular Name: (1S)-N-[(4-chloro-3-fluoro-phenyl)methyl]-1-(4-methylthiazol-2-yl)ethanamine (1S)-N-[(4-chloro-3-fluoro-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) 3.11 5.88 -6.25 1 2 0 25 284.787 4 ↓
Mid Mid (pH 6-8) 3.11 7.12 -48.96 2 2 1 29 285.795 4 ↓

Analogs

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Popular Name: (1S)-N-[(3,5-dimethylphenyl)methyl]-1-(4-methylthiazol-2-yl)ethanamine (1S)-N-[(3,5-dimethylphenyl)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) 3.16 7.87 -40.04 2 2 1 29 261.414 4 ↓
Mid Mid (pH 6-8) 3.16 6.67 -5.7 1 2 0 25 260.406 4 ↓

Analogs

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Popular Name: (1R)-N-[(3,5-dimethylphenyl)methyl]-1-(4-methylthiazol-2-yl)ethanamine (1R)-N-[(3,5-dimethylphenyl)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) 3.16 7.87 -39.99 2 2 1 29 261.414 4 ↓
Mid Mid (pH 6-8) 3.16 6.64 -4.79 1 2 0 25 260.406 4 ↓

Analogs

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Popular Name: 2-[[[(1R)-1-(4-methylthiazol-2-yl)ethyl]amino]methyl]phenol 2-[[[(1R)-1-(4-methylthiazol-2-y…

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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) 2.28 3.76 -38.55 3 3 1 50 249.359 4 ↓
Mid Mid (pH 6-8) 2.28 2.55 -7.75 2 3 0 45 248.351 4 ↓

Analogs

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Popular Name: 2-[[[(1S)-1-(4-methylthiazol-2-yl)ethyl]amino]methyl]phenol 2-[[[(1S)-1-(4-methylthiazol-2-y…

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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) 2.28 3.76 -38.15 3 3 1 50 249.359 4 ↓
Mid Mid (pH 6-8) 2.28 2.5 -6.44 2 3 0 45 248.351 4 ↓

Analogs

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Popular Name: 2-ethoxy-6-[[[(1S)-1-(4-methylthiazol-2-yl)ethyl]amino]methyl]phenol 2-ethoxy-6-[[[(1S)-1-(4-methylth…

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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 4.69 -41.66 3 4 1 59 293.412 6 ↓
Mid Mid (pH 6-8) 2.26 3.5 -8.04 2 4 0 54 292.404 6 ↓

Analogs

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Popular Name: 2-ethoxy-6-[[[(1R)-1-(4-methylthiazol-2-yl)ethyl]amino]methyl]phenol 2-ethoxy-6-[[[(1R)-1-(4-methylth…

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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 4.7 -42.21 3 4 1 59 293.412 6 ↓
Mid Mid (pH 6-8) 2.26 3.46 -8.15 2 4 0 54 292.404 6 ↓

Analogs

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Popular Name: (1R)-N-[(2-chloro-5-nitro-phenyl)methyl]-1-(4-methylthiazol-2-yl)ethanamine (1R)-N-[(2-chloro-5-nitro-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) 2.90 6.54 -8.48 1 5 0 71 311.794 5 ↓
Lo Low (pH 4.5-6) 2.90 7.72 -45.71 2 5 1 75 312.802 5 ↓

Analogs

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Popular Name: (1S)-N-[(2-chloro-5-nitro-phenyl)methyl]-1-(4-methylthiazol-2-yl)ethanamine (1S)-N-[(2-chloro-5-nitro-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) 2.90 6.49 -7.48 1 5 0 71 311.794 5 ↓
Lo Low (pH 4.5-6) 2.90 7.72 -45.79 2 5 1 75 312.802 5 ↓

Analogs

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Popular Name: (1R)-N-[(2,5-difluorophenyl)methyl]-1-(4-methylthiazol-2-yl)ethanamine (1R)-N-[(2,5-difluorophenyl)meth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.59 5.46 -6.84 1 2 0 25 268.332 4 ↓
Mid Mid (pH 6-8) 2.59 6.64 -40.49 2 2 1 29 269.34 4 ↓

Analogs

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Popular Name: (1S)-N-[(2,5-difluorophenyl)methyl]-1-(4-methylthiazol-2-yl)ethanamine (1S)-N-[(2,5-difluorophenyl)meth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.59 5.41 -5.26 1 2 0 25 268.332 4 ↓
Mid Mid (pH 6-8) 2.59 6.64 -39.97 2 2 1 29 269.34 4 ↓

Analogs

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Popular Name: (1R)-N-[(4-isopropoxyphenyl)methyl]-1-(4-methylthiazol-2-yl)ethanamine (1R)-N-[(4-isopropoxyphenyl)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) 3.13 7.4 -42.91 2 3 1 39 291.44 6 ↓
Mid Mid (pH 6-8) 3.13 6.21 -7.1 1 3 0 34 290.432 6 ↓

Analogs

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Popular Name: (1S)-N-[(4-isopropoxyphenyl)methyl]-1-(4-methylthiazol-2-yl)ethanamine (1S)-N-[(4-isopropoxyphenyl)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) 3.13 7.4 -42.71 2 3 1 39 291.44 6 ↓
Mid Mid (pH 6-8) 3.13 6.16 -5.9 1 3 0 34 290.432 6 ↓

Analogs

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Popular Name: 4-[[[(1R)-1-(4-methylthiazol-2-yl)ethyl]amino]methyl]benzonitrile 4-[[[(1R)-1-(4-methylthiazol-2-y…

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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) 2.09 5.75 -8.93 1 3 0 49 257.362 4 ↓
Lo Low (pH 4.5-6) 2.09 6.94 -52.13 2 3 1 53 258.37 4 ↓

Analogs

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Popular Name: 4-[[[(1S)-1-(4-methylthiazol-2-yl)ethyl]amino]methyl]benzonitrile 4-[[[(1S)-1-(4-methylthiazol-2-y…

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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) 2.09 5.71 -7.92 1 3 0 49 257.362 4 ↓
Lo Low (pH 4.5-6) 2.09 6.94 -52.14 2 3 1 53 258.37 4 ↓

Analogs

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Popular Name: (1R)-N-[(4-isopropylphenyl)methyl]-1-(4-methylthiazol-2-yl)ethanamine (1R)-N-[(4-isopropylphenyl)methy…

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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) 3.85 8.48 -39.83 2 2 1 29 275.441 5 ↓
Mid Mid (pH 6-8) 3.85 7.29 -5.35 1 2 0 25 274.433 5 ↓

Analogs

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Popular Name: (1S)-N-[(4-isopropylphenyl)methyl]-1-(4-methylthiazol-2-yl)ethanamine (1S)-N-[(4-isopropylphenyl)methy…

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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) 3.85 8.48 -39.86 2 2 1 29 275.441 5 ↓
Mid Mid (pH 6-8) 3.85 7.24 -4.43 1 2 0 25 274.433 5 ↓

Analogs

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Popular Name: (1R)-N-[(2-bromophenyl)methyl]-1-(4-methylthiazol-2-yl)ethanamine (1R)-N-[(2-bromophenyl)methyl]-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) 3.10 5.86 -6.61 1 2 0 25 311.248 4 ↓
Mid Mid (pH 6-8) 3.10 7.09 -36.22 2 2 1 29 312.256 4 ↓

Analogs

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Popular Name: (1S)-N-[(2-bromophenyl)methyl]-1-(4-methylthiazol-2-yl)ethanamine (1S)-N-[(2-bromophenyl)methyl]-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) 3.10 5.81 -4.81 1 2 0 25 311.248 4 ↓
Mid Mid (pH 6-8) 3.10 7.09 -35.23 2 2 1 29 312.256 4 ↓

Analogs

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Popular Name: (1S)-N-[(4-methoxy-3-methyl-phenyl)methyl]-1-(4-methylthiazol-2-yl)ethanamine (1S)-N-[(4-methoxy-3-methyl-phen…

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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) 2.77 6.59 -42.96 2 3 1 39 277.413 5 ↓
Mid Mid (pH 6-8) 2.77 5.4 -6.94 1 3 0 34 276.405 5 ↓

Analogs

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Popular Name: (1R)-N-[(4-methoxy-3-methyl-phenyl)methyl]-1-(4-methylthiazol-2-yl)ethanamine (1R)-N-[(4-methoxy-3-methyl-phen…

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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) 2.77 6.59 -43.03 2 3 1 39 277.413 5 ↓
Mid Mid (pH 6-8) 2.77 5.36 -6.18 1 3 0 34 276.405 5 ↓

Analogs

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Popular Name: 3-[[[(1R)-1-(4-methylthiazol-2-yl)ethyl]amino]methyl]benzonitrile 3-[[[(1R)-1-(4-methylthiazol-2-y…

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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) 2.07 5.74 -9.91 1 3 0 49 257.362 4 ↓
Mid Mid (pH 6-8) 2.07 6.93 -50.73 2 3 1 53 258.37 4 ↓

Analogs

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Popular Name: 3-[[[(1S)-1-(4-methylthiazol-2-yl)ethyl]amino]methyl]benzonitrile 3-[[[(1S)-1-(4-methylthiazol-2-y…

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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) 2.07 5.7 -7.91 1 3 0 49 257.362 4 ↓
Mid Mid (pH 6-8) 2.07 6.93 -50.04 2 3 1 53 258.37 4 ↓

Analogs

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Popular Name: 2-[4-[[[(1R)-1-(4-methylthiazol-2-yl)ethyl]amino]methyl]phenoxy]acetamide 2-[4-[[[(1R)-1-(4-methylthiazol-…

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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 3.96 -52.89 4 5 1 82 306.411 7 ↓
Mid Mid (pH 6-8) 1.13 2.77 -15.06 3 5 0 77 305.403 7 ↓

Analogs

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Popular Name: 2-[4-[[[(1S)-1-(4-methylthiazol-2-yl)ethyl]amino]methyl]phenoxy]acetamide 2-[4-[[[(1S)-1-(4-methylthiazol-…

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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 3.96 -53.52 4 5 1 82 306.411 7 ↓
Mid Mid (pH 6-8) 1.13 2.72 -14.94 3 5 0 77 305.403 7 ↓

Analogs

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Popular Name: (1R)-1-(4-methylthiazol-2-yl)-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ethanamine (1R)-1-(4-methylthiazol-2-yl)-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) 6.32 6.85 -6.66 1 2 0 25 332.416 6 ↓
Mid Mid (pH 6-8) 6.32 8.04 -46.28 2 2 1 29 333.424 6 ↓

Analogs

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Popular Name: (1S)-1-(4-methylthiazol-2-yl)-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ethanamine (1S)-1-(4-methylthiazol-2-yl)-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) 6.32 6.81 -5.15 1 2 0 25 332.416 6 ↓
Mid Mid (pH 6-8) 6.32 8.04 -46.01 2 2 1 29 333.424 6 ↓

Analogs

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Popular Name: (1R)-1-(4-methylthiazol-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine (1R)-1-(4-methylthiazol-2-yl)-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) 3.23 6.36 -6.68 1 2 0 25 300.349 5 ↓
Mid Mid (pH 6-8) 3.23 7.55 -47.8 2 2 1 29 301.357 5 ↓

Analogs

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Popular Name: (1S)-1-(4-methylthiazol-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine (1S)-1-(4-methylthiazol-2-yl)-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) 3.23 6.32 -5.62 1 2 0 25 300.349 5 ↓
Mid Mid (pH 6-8) 3.23 7.55 -47.82 2 2 1 29 301.357 5 ↓

Analogs

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Popular Name: (1R)-N-[(2-fluorophenyl)methyl]-1-(4-methylthiazol-2-yl)ethanamine (1R)-N-[(2-fluorophenyl)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) 2.45 5.39 -7.94 1 2 0 25 250.342 4 ↓
Mid Mid (pH 6-8) 2.45 6.57 -38.18 2 2 1 29 251.35 4 ↓

Analogs

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Popular Name: (1S)-N-[(2-fluorophenyl)methyl]-1-(4-methylthiazol-2-yl)ethanamine (1S)-N-[(2-fluorophenyl)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) 2.45 5.34 -5.69 1 2 0 25 250.342 4 ↓
Mid Mid (pH 6-8) 2.45 6.57 -37.14 2 2 1 29 251.35 4 ↓

Analogs

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Popular Name: (1S)-N-[(4-methyl-3-nitro-phenyl)methyl]-1-(4-methylthiazol-2-yl)ethanamine (1S)-N-[(4-methyl-3-nitro-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) 2.67 6.7 -12.21 1 5 0 71 291.376 5 ↓
Mid Mid (pH 6-8) 2.67 7.89 -53.66 2 5 1 75 292.384 5 ↓

Parameters Provided:

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Structural Results Found: (before additional filtering)

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