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

41192673
41192673

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Popular Name: N-[(S)-thiazol-2-yl-(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine N-[(S)-thiazol-2-yl-(1,3,5-trime…

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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) 1.64 5.81 -36.62 2 4 1 47 265.406 5 ↓
Mid Mid (pH 6-8) 1.64 5.01 -8.81 1 4 0 43 264.398 5 ↓

Analogs

41192670
41192670

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Popular Name: N-[(R)-thiazol-2-yl-(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine N-[(R)-thiazol-2-yl-(1,3,5-trime…

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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) 1.64 5.92 -37.13 2 4 1 47 265.406 5 ↓
Mid Mid (pH 6-8) 1.64 4.89 -8.65 1 4 0 43 264.398 5 ↓

Analogs

41193245
41193245

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Popular Name: N-[(S)-(4-methylthiazol-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine N-[(S)-(4-methylthiazol-2-yl)-(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) 1.86 5.97 -37.09 2 4 1 47 279.433 5 ↓
Mid Mid (pH 6-8) 1.86 5.5 -7.86 1 4 0 43 278.425 5 ↓

Analogs

41193242
41193242

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-(4-methylthiazol-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine N-[(R)-(4-methylthiazol-2-yl)-(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) 1.86 5.93 -37.18 2 4 1 47 279.433 5 ↓
Mid Mid (pH 6-8) 1.86 4.88 -8.26 1 4 0 43 278.425 5 ↓

Analogs

41193684
41193684

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Popular Name: N-[(S)-(1-methylpyrazol-4-yl)-(4-methylthiazol-2-yl)methyl]propan-1-amine N-[(S)-(1-methylpyrazol-4-yl)-(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) 1.41 5.04 -39.16 2 4 1 47 251.379 5 ↓
Mid Mid (pH 6-8) 1.41 3.92 -7.48 1 4 0 43 250.371 5 ↓

Analogs

41193681
41193681

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Popular Name: N-[(R)-(1-methylpyrazol-4-yl)-(4-methylthiazol-2-yl)methyl]propan-1-amine N-[(R)-(1-methylpyrazol-4-yl)-(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) 1.41 5.08 -39.16 2 4 1 47 251.379 5 ↓
Mid Mid (pH 6-8) 1.41 3.94 -7.24 1 4 0 43 250.371 5 ↓

Analogs

41193771
41193771

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-(4,5-dimethylthiazol-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine N-[(S)-(4,5-dimethylthiazol-2-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) 2.08 7.16 -36.09 2 4 1 47 293.46 5 ↓
Mid Mid (pH 6-8) 2.08 6.39 -9.27 1 4 0 43 292.452 5 ↓

Analogs

41193768
41193768

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-(4,5-dimethylthiazol-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine N-[(R)-(4,5-dimethylthiazol-2-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) 2.08 7.25 -36.66 2 4 1 47 293.46 5 ↓
Mid Mid (pH 6-8) 2.08 6.32 -9.2 1 4 0 43 292.452 5 ↓

Analogs

41194108
41194108

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Popular Name: N-[(S)-(4,5-dimethylthiazol-2-yl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine N-[(S)-(4,5-dimethylthiazol-2-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) 1.64 5.76 -37.87 2 4 1 47 265.406 5 ↓
Mid Mid (pH 6-8) 1.64 4.64 -9.44 1 4 0 43 264.398 5 ↓

Analogs

41194106
41194106

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-(4,5-dimethylthiazol-2-yl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine N-[(R)-(4,5-dimethylthiazol-2-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) 1.64 5.83 -38.28 2 4 1 47 265.406 5 ↓
Mid Mid (pH 6-8) 1.64 4.65 -8.93 1 4 0 43 264.398 5 ↓

Analogs

41194174
41194174

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Popular Name: N-[(S)-(4-ethyl-5-methyl-thiazol-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine N-[(S)-(4-ethyl-5-methyl-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) 2.65 7.41 -36.94 2 4 1 47 307.487 6 ↓
Mid Mid (pH 6-8) 2.65 6.99 -8.28 1 4 0 43 306.479 6 ↓

Analogs

41194170
41194170

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-(4-ethyl-5-methyl-thiazol-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine N-[(R)-(4-ethyl-5-methyl-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) 2.65 7.41 -36.6 2 4 1 47 307.487 6 ↓
Mid Mid (pH 6-8) 2.65 6.78 -8.21 1 4 0 43 306.479 6 ↓

Analogs

41194527
41194527

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-(4-ethyl-5-methyl-thiazol-2-yl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine N-[(S)-(4-ethyl-5-methyl-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) 2.21 6.52 -38.56 2 4 1 47 279.433 6 ↓
Mid Mid (pH 6-8) 2.21 5.4 -7.74 1 4 0 43 278.425 6 ↓

Analogs

41194524
41194524

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Popular Name: N-[(R)-(4-ethyl-5-methyl-thiazol-2-yl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine N-[(R)-(4-ethyl-5-methyl-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) 2.21 6.55 -38.58 2 4 1 47 279.433 6 ↓
Mid Mid (pH 6-8) 2.21 5.42 -7.45 1 4 0 43 278.425 6 ↓

Analogs

41194585
41194585

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-(4-isopropylthiazol-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine N-[(S)-(4-isopropylthiazol-2-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) 2.91 7.2 -37.34 2 4 1 47 307.487 6 ↓
Mid Mid (pH 6-8) 2.91 6.71 -7.7 1 4 0 43 306.479 6 ↓

Analogs

41194582
41194582

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Popular Name: N-[(R)-(4-isopropylthiazol-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine N-[(R)-(4-isopropylthiazol-2-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) 2.91 7.22 -36.88 2 4 1 47 307.487 6 ↓
Mid Mid (pH 6-8) 2.91 6.32 -7.62 1 4 0 43 306.479 6 ↓

Analogs

41194939
41194939
41195213
41195213
41195215
41195215

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-(4-isopropylthiazol-2-yl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine N-[(S)-(4-isopropylthiazol-2-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 6.32 -39.05 2 4 1 47 279.433 6 ↓
Mid Mid (pH 6-8) 2.47 5.2 -7.16 1 4 0 43 278.425 6 ↓

Analogs

41195213
41195213
41195215
41195215
41194936
41194936

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-(4-isopropylthiazol-2-yl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine N-[(R)-(4-isopropylthiazol-2-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 6.35 -39.02 2 4 1 47 279.433 6 ↓
Mid Mid (pH 6-8) 2.47 5.21 -6.88 1 4 0 43 278.425 6 ↓

Analogs

41195215
41195215
41194936
41194936
41194939
41194939

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-(4-tert-butylthiazol-2-yl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine N-[(S)-(4-tert-butylthiazol-2-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) 3.14 6.87 -38.85 2 4 1 47 293.46 6 ↓
Mid Mid (pH 6-8) 3.14 5.75 -6.82 1 4 0 43 292.452 6 ↓

Analogs

41194936
41194936
41195213
41195213
41194939
41194939

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-(4-tert-butylthiazol-2-yl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine N-[(R)-(4-tert-butylthiazol-2-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) 3.14 6.91 -38.92 2 4 1 47 293.46 6 ↓
Mid Mid (pH 6-8) 3.14 5.77 -6.54 1 4 0 43 292.452 6 ↓

Analogs

41195930
41195930

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-thiazol-2-yl-(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine N-[(S)-thiazol-2-yl-(1,3,5-trime…

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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) 1.43 4.59 -8.39 1 4 0 43 264.398 4 ↓
Mid Mid (pH 6-8) 1.43 5.64 -34 2 4 1 47 265.406 4 ↓

Analogs

41195928
41195928

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-thiazol-2-yl-(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine N-[(R)-thiazol-2-yl-(1,3,5-trime…

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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) 1.43 4.84 -8.78 1 4 0 43 264.398 4 ↓
Mid Mid (pH 6-8) 1.43 5.65 -33.53 2 4 1 47 265.406 4 ↓

Analogs

41196245
41196245

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Popular Name: N-[(R)-(1-methylpyrazol-4-yl)-(4-methylthiazol-2-yl)methyl]propan-2-amine N-[(R)-(1-methylpyrazol-4-yl)-(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) 1.21 3.84 -7.55 1 4 0 43 250.371 4 ↓
Mid Mid (pH 6-8) 1.21 4.85 -36.54 2 4 1 47 251.379 4 ↓

Analogs

41196243
41196243

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-(1-methylpyrazol-4-yl)-(4-methylthiazol-2-yl)methyl]propan-2-amine N-[(S)-(1-methylpyrazol-4-yl)-(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) 1.21 3.88 -7.57 1 4 0 43 250.371 4 ↓
Mid Mid (pH 6-8) 1.21 4.82 -36.41 2 4 1 47 251.379 4 ↓

Analogs

41196319
41196319

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-(4-methylthiazol-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine N-[(R)-(4-methylthiazol-2-yl)-(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) 1.65 4.95 -7.9 1 4 0 43 278.425 4 ↓
Mid Mid (pH 6-8) 1.65 5.7 -34.71 2 4 1 47 279.433 4 ↓

Analogs

41196317
41196317

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-(4-methylthiazol-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine N-[(S)-(4-methylthiazol-2-yl)-(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) 1.65 5.36 -7.94 1 4 0 43 278.425 4 ↓
Mid Mid (pH 6-8) 1.65 5.8 -34.71 2 4 1 47 279.433 4 ↓

Analogs

41196624
41196624

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-(4,5-dimethylthiazol-2-yl)-(1-methylpyrazol-4-yl)methyl]propan-2-amine N-[(R)-(4,5-dimethylthiazol-2-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) 1.43 4.56 -9.22 1 4 0 43 264.398 4 ↓
Mid Mid (pH 6-8) 1.43 5.61 -35.25 2 4 1 47 265.406 4 ↓

Analogs

41196622
41196622

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-(4,5-dimethylthiazol-2-yl)-(1-methylpyrazol-4-yl)methyl]propan-2-amine N-[(S)-(4,5-dimethylthiazol-2-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) 1.43 4.56 -8.92 1 4 0 43 264.398 4 ↓
Mid Mid (pH 6-8) 1.43 5.54 -34.88 2 4 1 47 265.406 4 ↓

Analogs

41196687
41196687

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-(4,5-dimethylthiazol-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine N-[(R)-(4,5-dimethylthiazol-2-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) 1.87 6.2 -9.12 1 4 0 43 292.452 4 ↓
Mid Mid (pH 6-8) 1.87 7 -33.83 2 4 1 47 293.46 4 ↓

Analogs

41196685
41196685

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-(4,5-dimethylthiazol-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine N-[(S)-(4,5-dimethylthiazol-2-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) 1.87 6.34 -9.08 1 4 0 43 292.452 4 ↓
Mid Mid (pH 6-8) 1.87 6.9 -33.37 2 4 1 47 293.46 4 ↓

Analogs

41196944
41196944

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-(4-ethyl-5-methyl-thiazol-2-yl)-(1-methylpyrazol-4-yl)methyl]propan-2-amine N-[(R)-(4-ethyl-5-methyl-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) 2.00 5.32 -7.55 1 4 0 43 278.425 5 ↓
Mid Mid (pH 6-8) 2.00 6.32 -35.85 2 4 1 47 279.433 5 ↓

Analogs

41196942
41196942

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-(4-ethyl-5-methyl-thiazol-2-yl)-(1-methylpyrazol-4-yl)methyl]propan-2-amine N-[(S)-(4-ethyl-5-methyl-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) 2.00 5.33 -7.45 1 4 0 43 278.425 5 ↓
Mid Mid (pH 6-8) 2.00 6.3 -35.77 2 4 1 47 279.433 5 ↓

Analogs

41196997
41196997
41190652
41190652
41190655
41190655

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-(4-ethyl-5-methyl-thiazol-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine N-[(R)-(4-ethyl-5-methyl-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) 2.45 6.42 -8.18 1 4 0 43 306.479 5 ↓
Mid Mid (pH 6-8) 2.45 7.16 -34.18 2 4 1 47 307.487 5 ↓

Analogs

41190652
41190652
41190655
41190655
41196995
41196995

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-(4-ethyl-5-methyl-thiazol-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine N-[(S)-(4-ethyl-5-methyl-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) 2.45 6.84 -8.22 1 4 0 43 306.479 5 ↓
Mid Mid (pH 6-8) 2.45 7.14 -34.16 2 4 1 47 307.487 5 ↓

Analogs

41197240
41197240
41197494
41197494
41197496
41197496

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Popular Name: N-[(R)-(4-isopropylthiazol-2-yl)-(1-methylpyrazol-4-yl)methyl]propan-2-amine N-[(R)-(4-isopropylthiazol-2-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) 2.27 5.11 -7.03 1 4 0 43 278.425 5 ↓
Mid Mid (pH 6-8) 2.27 6.11 -36.31 2 4 1 47 279.433 5 ↓

Analogs

41197494
41197494
41197496
41197496
41197238
41197238

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-(4-isopropylthiazol-2-yl)-(1-methylpyrazol-4-yl)methyl]propan-2-amine N-[(S)-(4-isopropylthiazol-2-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) 2.27 5.13 -6.89 1 4 0 43 278.425 5 ↓
Mid Mid (pH 6-8) 2.27 6.09 -36.21 2 4 1 47 279.433 5 ↓

Analogs

41197293
41197293
41191134
41191134
41191137
41191137
41191575
41191575
41191578
41191578

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-(4-isopropylthiazol-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine N-[(S)-(4-isopropylthiazol-2-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) 2.71 6.75 -8.12 1 4 0 43 306.479 5 ↓
Mid Mid (pH 6-8) 2.71 6.95 -34.06 2 4 1 47 307.487 5 ↓

Analogs

41191134
41191134
41191137
41191137
41191575
41191575
41191578
41191578
41197291
41197291

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-(4-isopropylthiazol-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine N-[(R)-(4-isopropylthiazol-2-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) 2.71 6.71 -7.53 1 4 0 43 306.479 5 ↓
Mid Mid (pH 6-8) 2.71 6.95 -36.8 2 4 1 47 307.487 5 ↓

Analogs

41197496
41197496
41197238
41197238
41197240
41197240

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-(4-tert-butylthiazol-2-yl)-(1-methylpyrazol-4-yl)methyl]propan-2-amine N-[(S)-(4-tert-butylthiazol-2-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) 2.93 5.67 -6.62 1 4 0 43 292.452 5 ↓
Mid Mid (pH 6-8) 2.93 6.66 -36.07 2 4 1 47 293.46 5 ↓

Analogs

41197238
41197238
41197240
41197240
41197494
41197494

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-(4-tert-butylthiazol-2-yl)-(1-methylpyrazol-4-yl)methyl]propan-2-amine N-[(R)-(4-tert-butylthiazol-2-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) 2.93 5.68 -6.5 1 4 0 43 292.452 5 ↓
Mid Mid (pH 6-8) 2.93 6.68 -36.21 2 4 1 47 293.46 5 ↓

Parameters Provided:

ring.id = 520540
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 = 520540 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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