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Analogs

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Popular Name: N-methyl-N-[[2-(methylaminomethyl)thiazol-4-yl]methyl]tetrahydropyran-4-amine 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) 0.58 4.38 -92.59 3 4 2 43 257.403 5 ↓
Mid Mid (pH 6-8) 0.58 1.86 -39.53 2 4 1 42 256.395 5 ↓

Analogs

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Popular Name: N-[[2-(ethylaminomethyl)thiazol-4-yl]methyl]-N-methyl-tetrahydropyran-4-amine N-[[2-(ethylaminomethyl)thiazol-…

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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) 0.95 5.24 -92.11 3 4 2 43 271.43 6 ↓
Mid Mid (pH 6-8) 0.95 2.72 -38.53 2 4 1 42 270.422 6 ↓

Analogs

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Popular Name: N-methyl-N-[[2-(propylaminomethyl)thiazol-4-yl]methyl]tetrahydropyran-4-amine N-methyl-N-[[2-(propylaminomethy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.45 5.99 -93.7 3 4 2 43 285.457 7 ↓
Mid Mid (pH 6-8) 1.45 3.47 -39.3 2 4 1 42 284.449 7 ↓

Analogs

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Popular Name: N-[[2-[(isopropylamino)methyl]thiazol-4-yl]methyl]-N-methyl-tetrahydropyran-4-amine N-[[2-[(isopropylamino)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) 1.25 5.77 -91.11 3 4 2 43 285.457 6 ↓
Mid Mid (pH 6-8) 1.25 3.25 -36.57 2 4 1 42 284.449 6 ↓

Analogs

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Popular Name: N-[[2-[(tert-butylamino)methyl]thiazol-4-yl]methyl]-N-methyl-tetrahydropyran-4-amine N-[[2-[(tert-butylamino)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) 1.76 6.2 -89.79 3 4 2 43 299.484 6 ↓
Mid Mid (pH 6-8) 1.76 3.68 -34.78 2 4 1 42 298.476 6 ↓

Analogs

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Popular Name: N-[[2-[(isobutylamino)methyl]thiazol-4-yl]methyl]-N-methyl-tetrahydropyran-4-amine N-[[2-[(isobutylamino)methyl]thi…

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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) 1.70 6.69 -94.18 3 4 2 43 299.484 7 ↓
Mid Mid (pH 6-8) 1.70 4.17 -39.13 2 4 1 42 298.476 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(aminomethyl)thiazol-4-yl]methyl]-N-methyl-tetrahydropyran-4-amine N-[[2-(aminomethyl)thiazol-4-yl]…

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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) 0.20 2.51 -97.85 4 4 2 54 243.376 4 ↓
Mid Mid (pH 6-8) 0.20 -0.01 -45.09 3 4 1 53 242.368 4 ↓
Mid Mid (pH 6-8) 0.20 2.1 -33.91 3 4 1 53 242.368 4 ↓

Analogs

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Popular Name: (4R)-2,2-dimethyl-N-[(2-methylthiazol-4-yl)methyl]tetrahydropyran-4-amine (4R)-2,2-dimethyl-N-[(2-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) 1.56 4.16 -39.38 2 3 1 39 241.38 3 ↓
Hi High (pH 8-9.5) 1.56 2.96 -6.29 1 3 0 34 240.372 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-2,2-dimethyl-N-[(2-methylthiazol-4-yl)methyl]tetrahydropyran-4-amine (4S)-2,2-dimethyl-N-[(2-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) 1.56 4.16 -38.49 2 3 1 39 241.38 3 ↓
Hi High (pH 8-9.5) 1.56 2.98 -5.68 1 3 0 34 240.372 3 ↓

Analogs

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Popular Name: (2R,4R)-2-ethyl-N-[(2-methylthiazol-4-yl)methyl]tetrahydropyran-4-amine (2R,4R)-2-ethyl-N-[(2-methylthia…

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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) 1.62 4.61 -39.34 2 3 1 39 241.38 4 ↓
Hi High (pH 8-9.5) 1.62 3.42 -4.62 1 3 0 34 240.372 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-2-ethyl-N-[(2-methylthiazol-4-yl)methyl]tetrahydropyran-4-amine (2S,4R)-2-ethyl-N-[(2-methylthia…

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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) 1.62 4.8 -38.91 2 3 1 39 241.38 4 ↓
Hi High (pH 8-9.5) 1.62 3.69 -4.5 1 3 0 34 240.372 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-2-ethyl-N-[(2-methylthiazol-4-yl)methyl]tetrahydropyran-4-amine (2R,4S)-2-ethyl-N-[(2-methylthia…

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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) 1.62 4.79 -37.49 2 3 1 39 241.38 4 ↓
Hi High (pH 8-9.5) 1.62 3.89 -4.45 1 3 0 34 240.372 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-2-ethyl-N-[(2-methylthiazol-4-yl)methyl]tetrahydropyran-4-amine (2S,4S)-2-ethyl-N-[(2-methylthia…

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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) 1.62 4.61 -38.34 2 3 1 39 241.38 4 ↓
Hi High (pH 8-9.5) 1.62 3.41 -4.74 1 3 0 34 240.372 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-2-methyl-N-[(2-methylthiazol-4-yl)methyl]tetrahydropyran-4-amine (2R,4R)-2-methyl-N-[(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) 1.12 3.78 -39.15 2 3 1 39 227.353 3 ↓
Hi High (pH 8-9.5) 1.12 2.58 -6.26 1 3 0 34 226.345 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-2-methyl-N-[(2-methylthiazol-4-yl)methyl]tetrahydropyran-4-amine (2R,4S)-2-methyl-N-[(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) 1.12 3.51 -37.94 2 3 1 39 227.353 3 ↓
Hi High (pH 8-9.5) 1.12 2.34 -5.57 1 3 0 34 226.345 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-2-methyl-N-[(2-methylthiazol-4-yl)methyl]tetrahydropyran-4-amine (2S,4R)-2-methyl-N-[(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) 1.12 3.51 -38.8 2 3 1 39 227.353 3 ↓
Hi High (pH 8-9.5) 1.12 2.31 -6.19 1 3 0 34 226.345 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-2-methyl-N-[(2-methylthiazol-4-yl)methyl]tetrahydropyran-4-amine (2S,4S)-2-methyl-N-[(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) 1.12 3.78 -38.21 2 3 1 39 227.353 3 ↓
Hi High (pH 8-9.5) 1.12 2.59 -5.7 1 3 0 34 226.345 3 ↓

Analogs

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Popular Name: (2R,4R)-2-propyl-N-(thiazol-4-ylmethyl)tetrahydropyran-4-amine (2R,4R)-2-propyl-N-(thiazol-4-yl…

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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 4.65 -39.61 2 3 1 39 241.38 5 ↓
Hi High (pH 8-9.5) 2.46 3.46 -4.42 1 3 0 34 240.372 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-2-propyl-N-(thiazol-4-ylmethyl)tetrahydropyran-4-amine (2S,4R)-2-propyl-N-(thiazol-4-yl…

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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 4.82 -39.26 2 3 1 39 241.38 5 ↓
Hi High (pH 8-9.5) 2.46 3.73 -4.23 1 3 0 34 240.372 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-2-propyl-N-(thiazol-4-ylmethyl)tetrahydropyran-4-amine (2R,4S)-2-propyl-N-(thiazol-4-yl…

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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 4.82 -37.88 2 3 1 39 241.38 5 ↓
Hi High (pH 8-9.5) 2.46 3.93 -4.23 1 3 0 34 240.372 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-2-propyl-N-(thiazol-4-ylmethyl)tetrahydropyran-4-amine (2S,4S)-2-propyl-N-(thiazol-4-yl…

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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 4.65 -38.6 2 3 1 39 241.38 5 ↓
Hi High (pH 8-9.5) 2.46 3.44 -4.47 1 3 0 34 240.372 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-2-ethyl-2-methyl-N-(thiazol-4-ylmethyl)tetrahydropyran-4-amine (2R,4R)-2-ethyl-2-methyl-N-(thia…

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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) 2.35 4.09 -39.57 2 3 1 39 241.38 4 ↓
Hi High (pH 8-9.5) 2.35 2.92 -4.54 1 3 0 34 240.372 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-2-ethyl-2-methyl-N-(thiazol-4-ylmethyl)tetrahydropyran-4-amine (2S,4R)-2-ethyl-2-methyl-N-(thia…

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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) 2.35 4.11 -39.8 2 3 1 39 241.38 4 ↓
Hi High (pH 8-9.5) 2.35 2.94 -4.46 1 3 0 34 240.372 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-2-ethyl-2-methyl-N-(thiazol-4-ylmethyl)tetrahydropyran-4-amine (2R,4S)-2-ethyl-2-methyl-N-(thia…

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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) 2.35 4.08 -38.9 2 3 1 39 241.38 4 ↓
Hi High (pH 8-9.5) 2.35 2.87 -4.45 1 3 0 34 240.372 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-2-ethyl-2-methyl-N-(thiazol-4-ylmethyl)tetrahydropyran-4-amine (2S,4S)-2-ethyl-2-methyl-N-(thia…

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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) 2.35 4.14 -38.76 2 3 1 39 241.38 4 ↓
Hi High (pH 8-9.5) 2.35 2.94 -4.5 1 3 0 34 240.372 4 ↓

Analogs

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Popular Name: (4R)-2,2-dimethyl-N-(thiazol-4-ylmethyl)tetrahydropyran-4-amine (4R)-2,2-dimethyl-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) 1.85 3.43 -39.58 2 3 1 39 227.353 3 ↓
Hi High (pH 8-9.5) 1.85 2.26 -4.69 1 3 0 34 226.345 3 ↓

Analogs

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Popular Name: (4S)-2,2-dimethyl-N-(thiazol-4-ylmethyl)tetrahydropyran-4-amine (4S)-2,2-dimethyl-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) 1.85 3.43 -38.71 2 3 1 39 227.353 3 ↓
Hi High (pH 8-9.5) 1.85 2.23 -4.69 1 3 0 34 226.345 3 ↓

Analogs

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Popular Name: (2R,4R)-2-ethyl-N-(thiazol-4-ylmethyl)tetrahydropyran-4-amine (2R,4R)-2-ethyl-N-(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) 1.91 3.87 -39.48 2 3 1 39 227.353 4 ↓
Hi High (pH 8-9.5) 1.91 2.68 -4.46 1 3 0 34 226.345 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-2-ethyl-N-(thiazol-4-ylmethyl)tetrahydropyran-4-amine (2S,4R)-2-ethyl-N-(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) 1.91 4.05 -39.17 2 3 1 39 227.353 4 ↓
Hi High (pH 8-9.5) 1.91 2.96 -4.29 1 3 0 34 226.345 4 ↓

Analogs

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Popular Name: (2R,4S)-2-ethyl-N-(thiazol-4-ylmethyl)tetrahydropyran-4-amine (2R,4S)-2-ethyl-N-(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) 1.91 4.05 -37.74 2 3 1 39 227.353 4 ↓
Hi High (pH 8-9.5) 1.91 3.16 -4.27 1 3 0 34 226.345 4 ↓

Analogs

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Popular Name: (2S,4S)-2-ethyl-N-(thiazol-4-ylmethyl)tetrahydropyran-4-amine (2S,4S)-2-ethyl-N-(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) 1.91 3.87 -38.57 2 3 1 39 227.353 4 ↓
Hi High (pH 8-9.5) 1.91 2.67 -4.6 1 3 0 34 226.345 4 ↓

Analogs

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Popular Name: (2R,4R)-2-methyl-N-(thiazol-4-ylmethyl)tetrahydropyran-4-amine (2R,4R)-2-methyl-N-(thiazol-4-yl…

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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) 1.40 3.05 -39.29 2 3 1 39 213.326 3 ↓
Hi High (pH 8-9.5) 1.40 1.86 -4.65 1 3 0 34 212.318 3 ↓

Analogs

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Popular Name: (2S,4R)-2-methyl-N-(thiazol-4-ylmethyl)tetrahydropyran-4-amine (2S,4R)-2-methyl-N-(thiazol-4-yl…

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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) 1.40 2.77 -38.98 2 3 1 39 213.326 3 ↓
Hi High (pH 8-9.5) 1.40 1.6 -4.57 1 3 0 34 212.318 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-2-methyl-N-(thiazol-4-ylmethyl)tetrahydropyran-4-amine (2R,4S)-2-methyl-N-(thiazol-4-yl…

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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) 1.40 2.77 -38.17 2 3 1 39 213.326 3 ↓
Hi High (pH 8-9.5) 1.40 1.57 -4.6 1 3 0 34 212.318 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-2-methyl-N-(thiazol-4-ylmethyl)tetrahydropyran-4-amine (2S,4S)-2-methyl-N-(thiazol-4-yl…

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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) 1.40 3.05 -38.42 2 3 1 39 213.326 3 ↓
Hi High (pH 8-9.5) 1.40 1.84 -4.77 1 3 0 34 212.318 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-2-isopropyl-N-(thiazol-4-ylmethyl)tetrahydropyran-4-amine (2S,4R)-2-isopropyl-N-(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) 2.15 4.4 -39.73 2 3 1 39 241.38 4 ↓
Hi High (pH 8-9.5) 2.15 3.21 -4.36 1 3 0 34 240.372 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-2-isopropyl-N-(thiazol-4-ylmethyl)tetrahydropyran-4-amine (2R,4R)-2-isopropyl-N-(thiazol-4…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 4.64 -39.39 2 3 1 39 241.38 4 ↓
Hi High (pH 8-9.5) 2.15 3.56 -4.12 1 3 0 34 240.372 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-2-isopropyl-N-(thiazol-4-ylmethyl)tetrahydropyran-4-amine (2S,4S)-2-isopropyl-N-(thiazol-4…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 4.58 -37.86 2 3 1 39 241.38 4 ↓
Hi High (pH 8-9.5) 2.15 3.67 -4.18 1 3 0 34 240.372 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-2-isopropyl-N-(thiazol-4-ylmethyl)tetrahydropyran-4-amine (2R,4S)-2-isopropyl-N-(thiazol-4…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 4.47 -38.76 2 3 1 39 241.38 4 ↓
Hi High (pH 8-9.5) 2.15 3.26 -4.31 1 3 0 34 240.372 4 ↓

Parameters Provided:

ring.id = 8716
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 8716 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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