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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: 2-(1,4-thiazepan-4-yl)thiazole-5-carbaldehyde 2-(1,4-thiazepan-4-yl)thiazole-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) 1.78 5.76 -7.91 0 3 0 33 228.342 2 ↓

Analogs

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Popular Name: 1-[2-(1,4-thiazepan-4-yl)thiazol-5-yl]ethanone 1-[2-(1,4-thiazepan-4-yl)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) 1.89 6.48 -9.41 0 3 0 33 242.369 2 ↓

Analogs

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Popular Name: 1-[4-methyl-2-(1,4-thiazepan-4-yl)thiazol-5-yl]ethanone 1-[4-methyl-2-(1,4-thiazepan-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) 2.11 7.12 -7.81 0 3 0 33 256.396 2 ↓

Analogs

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Popular Name: (1R)-1-[4-methyl-2-(1,4-thiazepan-4-yl)thiazol-5-yl]ethanamine (1R)-1-[4-methyl-2-(1,4-thiazepa…

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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) 0.08 5.24 -44.36 3 3 1 44 258.436 2 ↓
Mid Mid (pH 6-8) 0.08 4.89 -5.47 2 3 0 42 257.428 2 ↓

Analogs

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Popular Name: (1S)-1-[4-methyl-2-(1,4-thiazepan-4-yl)thiazol-5-yl]ethanamine (1S)-1-[4-methyl-2-(1,4-thiazepa…

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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) 0.08 5.25 -44.44 3 3 1 44 258.436 2 ↓
Mid Mid (pH 6-8) 0.08 4.92 -5.6 2 3 0 42 257.428 2 ↓

Analogs

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Popular Name: [2-(1,4-thiazepan-4-yl)thiazol-5-yl]methanamine [2-(1,4-thiazepan-4-yl)thiazol-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) 1.18 4.07 -45.88 3 3 1 44 230.382 2 ↓
Mid Mid (pH 6-8) 1.18 3.67 -5.34 2 3 0 42 229.374 2 ↓

Analogs

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Popular Name: (1S)-1-[2-(1,4-thiazepan-4-yl)thiazol-5-yl]ethanamine (1S)-1-[2-(1,4-thiazepan-4-yl)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) -0.14 4.74 -44.23 3 3 1 44 244.409 2 ↓
Mid Mid (pH 6-8) -0.14 4.42 -5.32 2 3 0 42 243.401 2 ↓

Analogs

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Popular Name: (1R)-1-[2-(1,4-thiazepan-4-yl)thiazol-5-yl]ethanamine (1R)-1-[2-(1,4-thiazepan-4-yl)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) -0.14 4.74 -44.4 3 3 1 44 244.409 2 ↓
Mid Mid (pH 6-8) -0.14 4.42 -4.43 2 3 0 42 243.401 2 ↓

Analogs

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Popular Name: (1R)-N-methyl-1-[4-methyl-2-(1,4-thiazepan-4-yl)thiazol-5-yl]ethanamine (1R)-N-methyl-1-[4-methyl-2-(1,4…

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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) 2.33 6.95 -39.04 2 3 1 33 272.463 3 ↓
Hi High (pH 8-9.5) 2.33 5.67 -5.48 1 3 0 28 271.455 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-methyl-1-[4-methyl-2-(1,4-thiazepan-4-yl)thiazol-5-yl]ethanamine (1S)-N-methyl-1-[4-methyl-2-(1,4…

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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) 2.33 6.97 -39.14 2 3 1 33 272.463 3 ↓
Hi High (pH 8-9.5) 2.33 5.67 -4.77 1 3 0 28 271.455 3 ↓

Analogs

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Popular Name: (1S)-N-ethyl-1-[4-methyl-2-(1,4-thiazepan-4-yl)thiazol-5-yl]ethanamine (1S)-N-ethyl-1-[4-methyl-2-(1,4-…

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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) 2.71 7.79 -38.02 2 3 1 33 286.49 4 ↓
Hi High (pH 8-9.5) 2.71 6.61 -5.13 1 3 0 28 285.482 4 ↓

Analogs

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Popular Name: (1R)-N-ethyl-1-[4-methyl-2-(1,4-thiazepan-4-yl)thiazol-5-yl]ethanamine (1R)-N-ethyl-1-[4-methyl-2-(1,4-…

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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) 2.71 7.81 -37.51 2 3 1 33 286.49 4 ↓
Hi High (pH 8-9.5) 2.71 6.6 -4.47 1 3 0 28 285.482 4 ↓

Analogs

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Popular Name: N-[(1S)-1-[4-methyl-2-(1,4-thiazepan-4-yl)thiazol-5-yl]ethyl]propan-1-amine N-[(1S)-1-[4-methyl-2-(1,4-thiaz…

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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) 3.21 8.55 -38.55 2 3 1 33 300.517 5 ↓
Hi High (pH 8-9.5) 3.21 7.36 -5.04 1 3 0 28 299.509 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-[4-methyl-2-(1,4-thiazepan-4-yl)thiazol-5-yl]ethyl]propan-1-amine N-[(1R)-1-[4-methyl-2-(1,4-thiaz…

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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) 3.21 8.57 -38.18 2 3 1 33 300.517 5 ↓
Hi High (pH 8-9.5) 3.21 7.35 -4.41 1 3 0 28 299.509 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[2-(1,4-thiazepan-4-yl)thiazol-5-yl]methanamine N-methyl-1-[2-(1,4-thiazepan-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) 1.55 5.95 -40.37 2 3 1 33 244.409 3 ↓
Hi High (pH 8-9.5) 1.55 4.5 -4.79 1 3 0 28 243.401 3 ↓

Analogs

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Popular Name: N-[[2-(1,4-thiazepan-4-yl)thiazol-5-yl]methyl]ethanamine N-[[2-(1,4-thiazepan-4-yl)thiazo…

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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) 1.92 6.81 -39.55 2 3 1 33 258.436 4 ↓
Hi High (pH 8-9.5) 1.92 5.44 -4.62 1 3 0 28 257.428 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(1,4-thiazepan-4-yl)thiazol-5-yl]methyl]propan-1-amine N-[[2-(1,4-thiazepan-4-yl)thiazo…

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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) 2.43 7.56 -40.29 2 3 1 33 272.463 5 ↓
Hi High (pH 8-9.5) 2.43 6.2 -4.51 1 3 0 28 271.455 5 ↓

Analogs

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Popular Name: N-[[2-(1,4-thiazepan-4-yl)thiazol-5-yl]methyl]propan-2-amine N-[[2-(1,4-thiazepan-4-yl)thiazo…

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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) 2.22 7.34 -37.9 2 3 1 33 272.463 4 ↓
Hi High (pH 8-9.5) 2.22 6.13 -4.44 1 3 0 28 271.455 4 ↓

Analogs

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Popular Name: 2-methyl-N-[[2-(1,4-thiazepan-4-yl)thiazol-5-yl]methyl]propan-2-amine 2-methyl-N-[[2-(1,4-thiazepan-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) 2.73 7.77 -36.03 2 3 1 33 286.49 4 ↓
Hi High (pH 8-9.5) 2.73 6.51 -4.43 1 3 0 28 285.482 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[[2-(1,4-thiazepan-4-yl)thiazol-5-yl]methyl]propan-1-amine 2-methyl-N-[[2-(1,4-thiazepan-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) 2.67 8.25 -40.2 2 3 1 33 286.49 5 ↓
Hi High (pH 8-9.5) 2.67 6.88 -4.41 1 3 0 28 285.482 5 ↓

Analogs

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Popular Name: 2-methoxy-N-[[2-(1,4-thiazepan-4-yl)thiazol-5-yl]methyl]ethanamine 2-methoxy-N-[[2-(1,4-thiazepan-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) 1.53 5.94 -39.93 2 4 1 42 288.462 6 ↓
Mid Mid (pH 6-8) 1.53 4.59 -5.73 1 4 0 37 287.454 6 ↓

Analogs

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Popular Name: (1S)-N-methyl-1-[2-(1,4-thiazepan-4-yl)thiazol-5-yl]ethanamine (1S)-N-methyl-1-[2-(1,4-thiazepa…

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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) 2.11 6.48 -38.95 2 3 1 33 258.436 3 ↓
Hi High (pH 8-9.5) 2.11 5.21 -4.16 1 3 0 28 257.428 3 ↓

Analogs

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Popular Name: (1R)-N-methyl-1-[2-(1,4-thiazepan-4-yl)thiazol-5-yl]ethanamine (1R)-N-methyl-1-[2-(1,4-thiazepa…

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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) 2.11 6.48 -39.12 2 3 1 33 258.436 3 ↓
Hi High (pH 8-9.5) 2.11 5.23 -4.97 1 3 0 28 257.428 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-ethyl-1-[2-(1,4-thiazepan-4-yl)thiazol-5-yl]ethanamine (1S)-N-ethyl-1-[2-(1,4-thiazepan…

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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) 2.48 7.33 -37.61 2 3 1 33 272.463 4 ↓
Hi High (pH 8-9.5) 2.48 6.16 -4.79 1 3 0 28 271.455 4 ↓

Analogs

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Popular Name: (1R)-N-ethyl-1-[2-(1,4-thiazepan-4-yl)thiazol-5-yl]ethanamine (1R)-N-ethyl-1-[2-(1,4-thiazepan…

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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) 2.48 7.33 -37.71 2 3 1 33 272.463 4 ↓
Hi High (pH 8-9.5) 2.48 6.13 -3.98 1 3 0 28 271.455 4 ↓

Analogs

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Popular Name: N-[(1S)-1-[2-(1,4-thiazepan-4-yl)thiazol-5-yl]ethyl]propan-1-amine N-[(1S)-1-[2-(1,4-thiazepan-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) 2.99 8.09 -38.28 2 3 1 33 286.49 5 ↓
Hi High (pH 8-9.5) 2.99 6.92 -4.65 1 3 0 28 285.482 5 ↓

Analogs

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Popular Name: N-[(1R)-1-[2-(1,4-thiazepan-4-yl)thiazol-5-yl]ethyl]propan-1-amine N-[(1R)-1-[2-(1,4-thiazepan-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) 2.99 8.09 -38.45 2 3 1 33 286.49 5 ↓
Hi High (pH 8-9.5) 2.99 6.88 -3.9 1 3 0 28 285.482 5 ↓

Analogs

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Popular Name: (1R)-1-[4-methyl-2-(1,4-thiazepan-4-yl)thiazol-5-yl]ethanol (1R)-1-[4-methyl-2-(1,4-thiazepa…

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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) 1.78 4.62 -7.6 1 3 0 36 258.412 2 ↓
Lo Low (pH 4.5-6) 1.78 4.95 -26.96 2 3 1 38 259.42 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[4-methyl-2-(1,4-thiazepan-4-yl)thiazol-5-yl]ethanol (1S)-1-[4-methyl-2-(1,4-thiazepa…

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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) 1.78 4.64 -7.53 1 3 0 36 258.412 2 ↓
Lo Low (pH 4.5-6) 1.78 4.96 -27.07 2 3 1 38 259.42 2 ↓

Analogs

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Popular Name: [2-(1,4-thiazepan-4-yl)thiazol-5-yl]methanol [2-(1,4-thiazepan-4-yl)thiazol-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) 1.33 3.33 -7.34 1 3 0 36 230.358 2 ↓
Lo Low (pH 4.5-6) 1.33 3.7 -28.36 2 3 1 38 231.366 2 ↓

Analogs

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Popular Name: (1S)-1-[2-(1,4-thiazepan-4-yl)thiazol-5-yl]ethanol (1S)-1-[2-(1,4-thiazepan-4-yl)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) 1.55 4.17 -5.96 1 3 0 36 244.385 2 ↓
Lo Low (pH 4.5-6) 1.55 4.51 -29.05 2 3 1 38 245.393 2 ↓

Analogs

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Popular Name: (1R)-1-[2-(1,4-thiazepan-4-yl)thiazol-5-yl]ethanol (1R)-1-[2-(1,4-thiazepan-4-yl)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) 1.55 4.17 -5.83 1 3 0 36 244.385 2 ↓
Lo Low (pH 4.5-6) 1.55 4.5 -29.01 2 3 1 38 245.393 2 ↓

Analogs

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Popular Name: 4-methyl-2-(1,4-thiazepan-4-yl)thiazole-5-carbaldehyde 4-methyl-2-(1,4-thiazepan-4-yl)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) 2.00 6.23 -9.51 0 3 0 33 242.369 2 ↓

Analogs

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Popular Name: 4-ethyl-2-(1,4-thiazepan-4-yl)thiazole-5-carbaldehyde 4-ethyl-2-(1,4-thiazepan-4-yl)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) 2.58 6.96 -9.04 0 3 0 33 256.396 3 ↓

Analogs

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Popular Name: 4-propyl-2-(1,4-thiazepan-4-yl)thiazole-5-carbaldehyde 4-propyl-2-(1,4-thiazepan-4-yl)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) 3.08 7.74 -8.77 0 3 0 33 270.423 4 ↓

Analogs

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Popular Name: 4-tert-butyl-2-(1,4-thiazepan-4-yl)thiazole-5-carbaldehyde 4-tert-butyl-2-(1,4-thiazepan-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) 3.73 8.01 -8.27 0 3 0 33 284.45 3 ↓

Analogs

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Popular Name: 4-methyl-2-(1,4-thiazepan-4-yl)thiazole-5-carboxylic 4-methyl-2-(1,4-thiazepan-4-yl)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) 1.78 7.04 -50.2 0 4 -1 56 257.36 2 ↓
Mid Mid (pH 6-8) 1.78 7.43 -39.05 1 4 0 58 258.368 2 ↓

Analogs

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Popular Name: 4-tert-butyl-2-(1,4-thiazepan-4-yl)thiazole-5-carboxylic 4-tert-butyl-2-(1,4-thiazepan-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) 3.51 8.8 -48.35 0 4 -1 56 299.441 3 ↓
Mid Mid (pH 6-8) 3.51 9.13 -35.77 1 4 0 58 300.449 3 ↓

Analogs

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Popular Name: 4-ethyl-2-(1,4-thiazepan-4-yl)thiazole-5-carboxylic 4-ethyl-2-(1,4-thiazepan-4-yl)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) 2.36 7.77 -50.51 0 4 -1 56 271.387 3 ↓
Mid Mid (pH 6-8) 2.36 8.12 -38.88 1 4 0 58 272.395 3 ↓

Analogs

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Popular Name: 4-propyl-2-(1,4-thiazepan-4-yl)thiazole-5-carboxylic 4-propyl-2-(1,4-thiazepan-4-yl)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) 2.86 8.54 -51.02 0 4 -1 56 285.414 4 ↓
Mid Mid (pH 6-8) 2.86 8.89 -38.96 1 4 0 58 286.422 4 ↓

Analogs

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Popular Name: N-[[4-propyl-2-(1,4-thiazepan-4-yl)thiazol-5-yl]methyl]ethanamine N-[[4-propyl-2-(1,4-thiazepan-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) 3.22 8.88 -39.99 2 3 1 33 300.517 6 ↓
Hi High (pH 8-9.5) 3.22 7.42 -5.14 1 3 0 28 299.509 6 ↓

Analogs

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Popular Name: N-[[4-propyl-2-(1,4-thiazepan-4-yl)thiazol-5-yl]methyl]propan-1-amine N-[[4-propyl-2-(1,4-thiazepan-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) 3.73 9.63 -40.7 2 3 1 33 314.544 7 ↓
Hi High (pH 8-9.5) 3.73 8.18 -4.99 1 3 0 28 313.536 7 ↓

Analogs

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Popular Name: N-[[4-propyl-2-(1,4-thiazepan-4-yl)thiazol-5-yl]methyl]propan-2-amine N-[[4-propyl-2-(1,4-thiazepan-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) 3.52 9.4 -38 2 3 1 33 314.544 6 ↓
Hi High (pH 8-9.5) 3.52 8.12 -4.98 1 3 0 28 313.536 6 ↓

Analogs

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Popular Name: 2-methyl-N-[[4-propyl-2-(1,4-thiazepan-4-yl)thiazol-5-yl]methyl]propan-2-amine 2-methyl-N-[[4-propyl-2-(1,4-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) 4.03 9.81 -36.01 2 3 1 33 328.571 6 ↓
Hi High (pH 8-9.5) 4.03 8.52 -4.89 1 3 0 28 327.563 6 ↓

Analogs

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Popular Name: 2-methyl-N-[[4-propyl-2-(1,4-thiazepan-4-yl)thiazol-5-yl]methyl]propan-1-amine 2-methyl-N-[[4-propyl-2-(1,4-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) 3.97 10.33 -40.5 2 3 1 33 328.571 7 ↓
Hi High (pH 8-9.5) 3.97 9.01 -4.83 1 3 0 28 327.563 7 ↓

Analogs

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Popular Name: 2-methoxy-N-[[4-propyl-2-(1,4-thiazepan-4-yl)thiazol-5-yl]methyl]ethanamine 2-methoxy-N-[[4-propyl-2-(1,4-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) 2.83 8.02 -40.38 2 4 1 42 330.543 8 ↓
Mid Mid (pH 6-8) 2.83 6.5 -7.03 1 4 0 37 329.535 8 ↓

Analogs

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Popular Name: [4-methyl-2-(1,4-thiazepan-4-yl)thiazol-5-yl]methanamine [4-methyl-2-(1,4-thiazepan-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 4.57 -46.34 3 3 1 44 244.409 2 ↓
Mid Mid (pH 6-8) 1.40 4.18 -5.69 2 3 0 42 243.401 2 ↓

Analogs

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Popular Name: [4-tert-butyl-2-(1,4-thiazepan-4-yl)thiazol-5-yl]methanamine [4-tert-butyl-2-(1,4-thiazepan-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) 3.12 6.37 -46.98 3 3 1 44 286.49 3 ↓
Mid Mid (pH 6-8) 3.12 6.06 -5.73 2 3 0 42 285.482 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-ethyl-2-(1,4-thiazepan-4-yl)thiazol-5-yl]methanamine [4-ethyl-2-(1,4-thiazepan-4-yl)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) 1.97 5.36 -46.47 3 3 1 44 258.436 3 ↓
Mid Mid (pH 6-8) 1.97 4.82 -5.88 2 3 0 42 257.428 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-propyl-2-(1,4-thiazepan-4-yl)thiazol-5-yl]methanamine [4-propyl-2-(1,4-thiazepan-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) 2.47 6.06 -47.48 3 3 1 44 272.463 4 ↓
Mid Mid (pH 6-8) 2.47 5.6 -5.77 2 3 0 42 271.455 4 ↓

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