UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

37989613
37989613
42858577
42858577
42858580
42858580
42858583
42858583
42858585
42858585

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[(cyclohexylmethylamino)methyl]thiazol-2-yl]-N-ethyl-acetamide N-[4-[(cyclohexylmethylamino)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) 2.92 8.43 -41.8 2 4 1 50 296.46 6 ↓
Hi High (pH 8-9.5) 2.92 7.05 -15.1 1 4 0 45 295.452 6 ↓

Analogs

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Popular Name: (1S,2S)-2-[[methyl(thiazol-4-ylmethyl)amino]methyl]cyclohexanol (1S,2S)-2-[[methyl(thiazol-4-ylm…

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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 4.64 -33.13 2 3 1 38 241.38 4 ↓
Hi High (pH 8-9.5) 2.05 2.55 -4.89 1 3 0 36 240.372 4 ↓

Analogs

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Popular Name: (1S,2R)-2-[[methyl(thiazol-4-ylmethyl)amino]methyl]cyclohexanol (1S,2R)-2-[[methyl(thiazol-4-ylm…

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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 4.47 -32.39 2 3 1 38 241.38 4 ↓
Hi High (pH 8-9.5) 2.05 2.45 -5.23 1 3 0 36 240.372 4 ↓

Analogs

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Popular Name: (1S,2S,4R)-4-methyl-2-[[methyl(thiazol-4-ylmethyl)amino]methyl]cyclohexanol (1S,2S,4R)-4-methyl-2-[[methyl(t…

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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) 2.06 5.23 -33.37 2 3 1 38 255.407 4 ↓
Hi High (pH 8-9.5) 2.06 3.15 -4.77 1 3 0 36 254.399 4 ↓

Analogs

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Popular Name: (1S,2S,4S)-4-methyl-2-[[methyl(thiazol-4-ylmethyl)amino]methyl]cyclohexanol (1S,2S,4S)-4-methyl-2-[[methyl(t…

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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) 2.06 5.02 -33.4 2 3 1 38 255.407 4 ↓
Hi High (pH 8-9.5) 2.06 2.94 -4.76 1 3 0 36 254.399 4 ↓

Analogs

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Popular Name: (1R,2S,4R)-4-methyl-2-[[methyl(thiazol-4-ylmethyl)amino]methyl]cyclohexanol (1R,2S,4R)-4-methyl-2-[[methyl(t…

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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) 2.06 5.39 -31.55 2 3 1 38 255.407 4 ↓
Hi High (pH 8-9.5) 2.06 3.86 -5 1 3 0 36 254.399 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S,4S)-4-methyl-2-[[methyl(thiazol-4-ylmethyl)amino]methyl]cyclohexanol (1R,2S,4S)-4-methyl-2-[[methyl(t…

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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) 2.06 4.88 -34.06 2 3 1 38 255.407 4 ↓
Hi High (pH 8-9.5) 2.06 2.85 -5.59 1 3 0 36 254.399 4 ↓

Analogs

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Popular Name: (1S,2S,4R)-4-ethyl-2-[[methyl(thiazol-4-ylmethyl)amino]methyl]cyclohexanol (1S,2S,4R)-4-ethyl-2-[[methyl(th…

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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) 2.74 5.59 -34.98 2 3 1 38 269.434 5 ↓
Hi High (pH 8-9.5) 2.74 3.53 -5.27 1 3 0 36 268.426 5 ↓

Analogs

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Popular Name: (1S,2S,4S)-4-ethyl-2-[[methyl(thiazol-4-ylmethyl)amino]methyl]cyclohexanol (1S,2S,4S)-4-ethyl-2-[[methyl(th…

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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) 2.74 5.51 -33.25 2 3 1 38 269.434 5 ↓
Hi High (pH 8-9.5) 2.74 3.47 -5.42 1 3 0 36 268.426 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S,4R)-4-ethyl-2-[[methyl(thiazol-4-ylmethyl)amino]methyl]cyclohexanol (1R,2S,4R)-4-ethyl-2-[[methyl(th…

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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) 2.74 5.76 -34.36 2 3 1 38 269.434 5 ↓
Hi High (pH 8-9.5) 2.74 3.72 -5.71 1 3 0 36 268.426 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S,4S)-4-ethyl-2-[[methyl(thiazol-4-ylmethyl)amino]methyl]cyclohexanol (1R,2S,4S)-4-ethyl-2-[[methyl(th…

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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) 2.74 5.24 -37.59 2 3 1 38 269.434 5 ↓
Hi High (pH 8-9.5) 2.74 3.18 -5.06 1 3 0 36 268.426 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S,4R)-2-[[methyl(thiazol-4-ylmethyl)amino]methyl]-4-propyl-cyclohexanol (1S,2S,4R)-2-[[methyl(thiazol-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) 3.30 6.65 -33.65 2 3 1 38 283.461 6 ↓
Hi High (pH 8-9.5) 3.30 4.57 -4.66 1 3 0 36 282.453 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S,4S)-2-[[methyl(thiazol-4-ylmethyl)amino]methyl]-4-propyl-cyclohexanol (1S,2S,4S)-2-[[methyl(thiazol-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) 3.30 6.27 -33.71 2 3 1 38 283.461 6 ↓
Hi High (pH 8-9.5) 3.30 4.23 -5.39 1 3 0 36 282.453 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S,4R)-2-[[methyl(thiazol-4-ylmethyl)amino]methyl]-4-propyl-cyclohexanol (1R,2S,4R)-2-[[methyl(thiazol-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) 3.30 6.51 -34.45 2 3 1 38 283.461 6 ↓
Hi High (pH 8-9.5) 3.30 4.47 -5.65 1 3 0 36 282.453 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S,4S)-2-[[methyl(thiazol-4-ylmethyl)amino]methyl]-4-propyl-cyclohexanol (1R,2S,4S)-2-[[methyl(thiazol-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) 3.30 5.99 -37.78 2 3 1 38 283.461 6 ↓
Hi High (pH 8-9.5) 3.30 3.93 -5.06 1 3 0 36 282.453 6 ↓

Analogs

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Popular Name: (1S,2S,4R)-4-tert-butyl-2-[[methyl(thiazol-4-ylmethyl)amino]methyl]cyclohexanol (1S,2S,4R)-4-tert-butyl-2-[[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) 3.38 6.33 -35.24 2 3 1 38 297.488 5 ↓
Hi High (pH 8-9.5) 3.38 4.27 -5.04 1 3 0 36 296.48 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S,4S)-4-tert-butyl-2-[[methyl(thiazol-4-ylmethyl)amino]methyl]cyclohexanol (1S,2S,4S)-4-tert-butyl-2-[[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) 3.38 6.49 -31.7 2 3 1 38 297.488 5 ↓
Hi High (pH 8-9.5) 3.38 4.96 -4.7 1 3 0 36 296.48 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S,4R)-4-tert-butyl-2-[[methyl(thiazol-4-ylmethyl)amino]methyl]cyclohexanol (1R,2S,4R)-4-tert-butyl-2-[[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) 3.38 6.5 -35.38 2 3 1 38 297.488 5 ↓
Hi High (pH 8-9.5) 3.38 4.46 -5.59 1 3 0 36 296.48 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S,4S)-4-tert-butyl-2-[[methyl(thiazol-4-ylmethyl)amino]methyl]cyclohexanol (1R,2S,4S)-4-tert-butyl-2-[[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) 3.38 5.99 -37.72 2 3 1 38 297.488 5 ↓
Hi High (pH 8-9.5) 3.38 3.93 -4.84 1 3 0 36 296.48 5 ↓

Analogs

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Popular Name: (1S,2S)-2-[[methyl-[(2-methylthiazol-4-yl)methyl]amino]methyl]cyclohexanol (1S,2S)-2-[[methyl-[(2-methylthi…

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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 5.05 -34.45 2 3 1 38 255.407 4 ↓
Hi High (pH 8-9.5) 1.76 3.06 -5.76 1 3 0 36 254.399 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[[methyl-[(2-methylthiazol-4-yl)methyl]amino]methyl]cyclohexanol (1S,2R)-2-[[methyl-[(2-methylthi…

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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 4.92 -32.37 2 3 1 38 255.407 4 ↓
Hi High (pH 8-9.5) 1.76 2.89 -5.58 1 3 0 36 254.399 4 ↓

Analogs

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Popular Name: (1S,2S,4R)-4-methyl-2-[[methyl-[(2-methylthiazol-4-yl)methyl]amino]methyl]cyclohexanol (1S,2S,4R)-4-methyl-2-[[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) 1.77 5.96 -33.3 2 3 1 38 269.434 4 ↓
Hi High (pH 8-9.5) 1.77 3.91 -5.08 1 3 0 36 268.426 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R,4R)-4-methyl-2-[[methyl-[(2-methylthiazol-4-yl)methyl]amino]methyl]cyclohexanol (1S,2R,4R)-4-methyl-2-[[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) 1.77 5.3 -32.49 2 3 1 38 269.434 4 ↓
Hi High (pH 8-9.5) 1.77 3.32 -5.48 1 3 0 36 268.426 4 ↓

Analogs

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Popular Name: (1S,2S,4R)-4-ethyl-2-[[methyl-[(2-methylthiazol-4-yl)methyl]amino]methyl]cyclohexanol (1S,2S,4R)-4-ethyl-2-[[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) 2.46 6.33 -34.77 2 3 1 38 283.461 5 ↓
Hi High (pH 8-9.5) 2.46 4.27 -5.41 1 3 0 36 282.453 5 ↓

Analogs

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Popular Name: (1S,2S,4S)-4-ethyl-2-[[methyl-[(2-methylthiazol-4-yl)methyl]amino]methyl]cyclohexanol (1S,2S,4S)-4-ethyl-2-[[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) 2.46 6.22 -33.05 2 3 1 38 283.461 5 ↓
Hi High (pH 8-9.5) 2.46 4.2 -5.57 1 3 0 36 282.453 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S,4R)-4-ethyl-2-[[methyl-[(2-methylthiazol-4-yl)methyl]amino]methyl]cyclohexanol (1R,2S,4R)-4-ethyl-2-[[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) 2.46 6.48 -34.12 2 3 1 38 283.461 5 ↓
Hi High (pH 8-9.5) 2.46 4.44 -5.83 1 3 0 36 282.453 5 ↓

Analogs

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Popular Name: (1R,2S,4S)-4-ethyl-2-[[methyl-[(2-methylthiazol-4-yl)methyl]amino]methyl]cyclohexanol (1R,2S,4S)-4-ethyl-2-[[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) 2.46 6.29 -37.06 2 3 1 38 283.461 5 ↓
Hi High (pH 8-9.5) 2.46 4.2 -5.69 1 3 0 36 282.453 5 ↓

Analogs

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Popular Name: (1S,2S,4R)-2-[[methyl-[(2-methylthiazol-4-yl)methyl]amino]methyl]-4-propyl-cyclohexanol (1S,2S,4R)-2-[[methyl-[(2-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) 3.02 7.09 -34.83 2 3 1 38 297.488 6 ↓
Hi High (pH 8-9.5) 3.02 5.03 -5.38 1 3 0 36 296.48 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S,4S)-2-[[methyl-[(2-methylthiazol-4-yl)methyl]amino]methyl]-4-propyl-cyclohexanol (1S,2S,4S)-2-[[methyl-[(2-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) 3.02 7.25 -31.19 2 3 1 38 297.488 6 ↓
Hi High (pH 8-9.5) 3.02 5.72 -5.06 1 3 0 36 296.48 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S,4R)-2-[[methyl-[(2-methylthiazol-4-yl)methyl]amino]methyl]-4-propyl-cyclohexanol (1R,2S,4R)-2-[[methyl-[(2-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) 3.02 7.24 -34.25 2 3 1 38 297.488 6 ↓
Hi High (pH 8-9.5) 3.02 5.2 -5.83 1 3 0 36 296.48 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S,4S)-2-[[methyl-[(2-methylthiazol-4-yl)methyl]amino]methyl]-4-propyl-cyclohexanol (1R,2S,4S)-2-[[methyl-[(2-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) 3.02 7.04 -37.35 2 3 1 38 297.488 6 ↓
Hi High (pH 8-9.5) 3.02 4.96 -5.63 1 3 0 36 296.48 6 ↓

Analogs

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Popular Name: (1S,2S,4R)-4-tert-butyl-2-[[methyl-[(2-methylthiazol-4-yl)methyl]amino]methyl]cyclohexanol (1S,2S,4R)-4-tert-butyl-2-[[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) 3.10 7.06 -35.03 2 3 1 38 311.515 5 ↓
Hi High (pH 8-9.5) 3.10 5.03 -5.17 1 3 0 36 310.507 5 ↓

Analogs

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Popular Name: (1S,2R,4R)-4-tert-butyl-2-[[methyl-[(2-methylthiazol-4-yl)methyl]amino]methyl]cyclohexanol (1S,2R,4R)-4-tert-butyl-2-[[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) 3.10 6.72 -37.29 2 3 1 38 311.515 5 ↓
Hi High (pH 8-9.5) 3.10 4.75 -5.73 1 3 0 36 310.507 5 ↓

Analogs

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Popular Name: (1S)-1-cyclohexyl-N-(thiazol-4-ylmethyl)ethanamine (1S)-1-cyclohexyl-N-(thiazol-4-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) 3.29 5.92 -35.8 2 2 1 29 225.381 4 ↓
Hi High (pH 8-9.5) 3.29 4.86 -3.19 1 2 0 25 224.373 4 ↓

Analogs

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Popular Name: (1R)-1-cyclohexyl-N-(thiazol-4-ylmethyl)ethanamine (1R)-1-cyclohexyl-N-(thiazol-4-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) 3.29 6 -35.92 2 2 1 29 225.381 4 ↓
Hi High (pH 8-9.5) 3.29 5 -3.1 1 2 0 25 224.373 4 ↓

Analogs

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Popular Name: (1S)-1-cyclohexyl-N-[(1S)-1-(2,5-dimethylthiazol-4-yl)ethyl]propan-1-amine (1S)-1-cyclohexyl-N-[(1S)-1-(2,5…

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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) 4.32 8.51 -31.26 2 2 1 29 281.489 5 ↓
Hi High (pH 8-9.5) 4.32 7.67 -3.71 1 2 0 25 280.481 5 ↓

Analogs

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Popular Name: (1R)-1-cyclohexyl-N-[(1S)-1-(2,5-dimethylthiazol-4-yl)ethyl]propan-1-amine (1R)-1-cyclohexyl-N-[(1S)-1-(2,5…

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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) 4.32 8.51 -29.61 2 2 1 29 281.489 5 ↓
Hi High (pH 8-9.5) 4.32 8 -3.47 1 2 0 25 280.481 5 ↓

Analogs

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Popular Name: (1S)-1-cyclohexyl-N-[(1R)-1-(2,5-dimethylthiazol-4-yl)ethyl]propan-1-amine (1S)-1-cyclohexyl-N-[(1R)-1-(2,5…

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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) 4.32 8.63 -29.85 2 2 1 29 281.489 5 ↓
Hi High (pH 8-9.5) 4.32 7.9 -3.62 1 2 0 25 280.481 5 ↓

Analogs

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Popular Name: (1R)-1-cyclohexyl-N-[(1R)-1-(2,5-dimethylthiazol-4-yl)ethyl]propan-1-amine (1R)-1-cyclohexyl-N-[(1R)-1-(2,5…

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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) 4.32 8.73 -30.43 2 2 1 29 281.489 5 ↓
Hi High (pH 8-9.5) 4.32 8.09 -3.45 1 2 0 25 280.481 5 ↓

Analogs

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Popular Name: (1S)-1-cyclohexyl-N-[(1S)-1-(2-methylthiazol-4-yl)ethyl]propan-1-amine (1S)-1-cyclohexyl-N-[(1S)-1-(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) 4.09 7.95 -30.87 2 2 1 29 267.462 5 ↓
Hi High (pH 8-9.5) 4.09 7.11 -3.4 1 2 0 25 266.454 5 ↓

Analogs

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Popular Name: (1R)-1-cyclohexyl-N-[(1S)-1-(2-methylthiazol-4-yl)ethyl]propan-1-amine (1R)-1-cyclohexyl-N-[(1S)-1-(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) 4.09 7.98 -29.47 2 2 1 29 267.462 5 ↓
Hi High (pH 8-9.5) 4.09 7.42 -3.05 1 2 0 25 266.454 5 ↓

Analogs

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Popular Name: (1S)-1-cyclohexyl-N-[(1R)-1-(2-methylthiazol-4-yl)ethyl]propan-1-amine (1S)-1-cyclohexyl-N-[(1R)-1-(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) 4.09 8.12 -29.94 2 2 1 29 267.462 5 ↓
Hi High (pH 8-9.5) 4.09 7.29 -3.12 1 2 0 25 266.454 5 ↓

Analogs

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Popular Name: (1R)-1-cyclohexyl-N-[(1R)-1-(2-methylthiazol-4-yl)ethyl]propan-1-amine (1R)-1-cyclohexyl-N-[(1R)-1-(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) 4.09 7.76 -31.41 2 2 1 29 267.462 5 ↓
Hi High (pH 8-9.5) 4.09 7.29 -3.21 1 2 0 25 266.454 5 ↓

Analogs

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Popular Name: (1S)-1-cyclohexyl-N-(thiazol-4-ylmethyl)propan-1-amine (1S)-1-cyclohexyl-N-(thiazol-4-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) 3.82 6.67 -35.36 2 2 1 29 239.408 5 ↓

Analogs

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Popular Name: (1R)-1-cyclohexyl-N-(thiazol-4-ylmethyl)propan-1-amine (1R)-1-cyclohexyl-N-(thiazol-4-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) 3.82 6.65 -35.11 2 2 1 29 239.408 5 ↓

Analogs

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Popular Name: (1S)-1-cyclohexyl-N-[(2-ethylthiazol-4-yl)methyl]ethanamine (1S)-1-cyclohexyl-N-[(2-ethylthi…

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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) 3.57 7.41 -35.44 2 2 1 29 253.435 5 ↓
Hi High (pH 8-9.5) 3.57 6.32 -4.35 1 2 0 25 252.427 5 ↓

Analogs

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Popular Name: (1R)-1-cyclohexyl-N-[(2-ethylthiazol-4-yl)methyl]ethanamine (1R)-1-cyclohexyl-N-[(2-ethylthi…

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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) 3.57 7.49 -35.61 2 2 1 29 253.435 5 ↓
Hi High (pH 8-9.5) 3.57 6.28 -4.36 1 2 0 25 252.427 5 ↓

Analogs

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Popular Name: (1S)-1-cyclohexyl-N-[(2-ethylthiazol-4-yl)methyl]propan-1-amine (1S)-1-cyclohexyl-N-[(2-ethylthi…

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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) 4.11 8.16 -35 2 2 1 29 267.462 6 ↓
Hi High (pH 8-9.5) 4.11 7 -3.83 1 2 0 25 266.454 6 ↓

Analogs

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Popular Name: (1R)-1-cyclohexyl-N-[(2-ethylthiazol-4-yl)methyl]propan-1-amine (1R)-1-cyclohexyl-N-[(2-ethylthi…

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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) 4.11 8.05 -34.25 2 2 1 29 267.462 6 ↓
Hi High (pH 8-9.5) 4.11 7.29 -3.75 1 2 0 25 266.454 6 ↓

Analogs

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Popular Name: 1-[4-[[cyclohexylmethyl(methyl)amino]methyl]thiazol-2-yl]-N-methyl-methanamine 1-[4-[[cyclohexylmethyl(methyl)a…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.49 7.75 -92.14 3 3 2 34 269.458 6 ↓
Hi High (pH 8-9.5) 2.49 4.25 -3.86 1 3 0 28 267.442 6 ↓
Hi High (pH 8-9.5) 2.49 6.31 -34.3 2 3 1 29 268.45 6 ↓

Parameters Provided:

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Structural Results Found: (before additional filtering)

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