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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Popular Name: (1S)-N-ethyl-1-(2-methylpyrazol-3-yl)-2-(4-methylthiazol-2-yl)ethanamine (1S)-N-ethyl-1-(2-methylpyrazol-…

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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 4.74 -37.23 2 4 1 47 251.379 5 ↓
Hi High (pH 8-9.5) 1.43 3.98 -6.73 1 4 0 43 250.371 5 ↓

Analogs

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Popular Name: (1R)-N-ethyl-1-(2-methylpyrazol-3-yl)-2-(4-methylthiazol-2-yl)ethanamine (1R)-N-ethyl-1-(2-methylpyrazol-…

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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 -39.85 2 4 1 47 251.379 5 ↓
Hi High (pH 8-9.5) 1.43 3.8 -7.14 1 4 0 43 250.371 5 ↓

Analogs

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Popular Name: N-[(1S)-1-(2-methylpyrazol-3-yl)-2-(4-methylthiazol-2-yl)ethyl]propan-1-amine N-[(1S)-1-(2-methylpyrazol-3-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) 1.94 5.5 -37.69 2 4 1 47 265.406 6 ↓
Hi High (pH 8-9.5) 1.94 4.73 -6.62 1 4 0 43 264.398 6 ↓

Analogs

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Popular Name: N-[(1R)-1-(2-methylpyrazol-3-yl)-2-(4-methylthiazol-2-yl)ethyl]propan-1-amine N-[(1R)-1-(2-methylpyrazol-3-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) 1.94 5.6 -40.43 2 4 1 47 265.406 6 ↓
Hi High (pH 8-9.5) 1.94 4.56 -7.1 1 4 0 43 264.398 6 ↓

Analogs

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Popular Name: (1R)-2-(4-methylthiazol-2-yl)-1-(2-propylpyrazol-3-yl)ethanol (1R)-2-(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) 1.38 3.34 -8.57 1 4 0 51 251.355 5 ↓

Analogs

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Popular Name: (1S)-2-(4-methylthiazol-2-yl)-1-(2-propylpyrazol-3-yl)ethanol (1S)-2-(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) 1.38 3.41 -8.86 1 4 0 51 251.355 5 ↓

Analogs

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Popular Name: (1R)-2-(4-methylthiazol-2-yl)-1-(2-propylpyrazol-3-yl)ethanamine (1R)-2-(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) -0.32 3.82 -48 3 4 1 58 251.379 5 ↓
Mid Mid (pH 6-8) -0.32 3.52 -7.14 2 4 0 57 250.371 5 ↓

Analogs

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Popular Name: (1S)-2-(4-methylthiazol-2-yl)-1-(2-propylpyrazol-3-yl)ethanamine (1S)-2-(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) -0.32 4.01 -43.95 3 4 1 58 251.379 5 ↓
Mid Mid (pH 6-8) -0.32 3.67 -6.78 2 4 0 57 250.371 5 ↓

Analogs

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Popular Name: (1R)-N-methyl-2-(4-methylthiazol-2-yl)-1-(2-propylpyrazol-3-yl)ethanamine (1R)-N-methyl-2-(4-methylthiazol…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.94 5.53 -41.77 2 4 1 47 265.406 6 ↓
Hi High (pH 8-9.5) 1.94 3.91 -6.92 1 4 0 43 264.398 6 ↓

Analogs

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Popular Name: (1S)-N-methyl-2-(4-methylthiazol-2-yl)-1-(2-propylpyrazol-3-yl)ethanamine (1S)-N-methyl-2-(4-methylthiazol…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.94 5.68 -38.79 2 4 1 47 265.406 6 ↓
Hi High (pH 8-9.5) 1.94 4.49 -7.01 1 4 0 43 264.398 6 ↓

Analogs

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Popular Name: (1R)-1-(2-ethylpyrazol-3-yl)-N-methyl-2-(4-methylthiazol-2-yl)ethanamine (1R)-1-(2-ethylpyrazol-3-yl)-N-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) 1.43 4.78 -41.84 2 4 1 47 251.379 5 ↓
Hi High (pH 8-9.5) 1.43 3.17 -7.17 1 4 0 43 250.371 5 ↓

Analogs

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Popular Name: (1S)-1-(2-ethylpyrazol-3-yl)-N-methyl-2-(4-methylthiazol-2-yl)ethanamine (1S)-1-(2-ethylpyrazol-3-yl)-N-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) 1.43 4.92 -38.71 2 4 1 47 251.379 5 ↓
Hi High (pH 8-9.5) 1.43 3.72 -7.39 1 4 0 43 250.371 5 ↓

Analogs

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Popular Name: (1R)-N-ethyl-2-(4-methylthiazol-2-yl)-1-(2-propylpyrazol-3-yl)ethanamine (1R)-N-ethyl-2-(4-methylthiazol-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.31 6.36 -39.6 2 4 1 47 279.433 7 ↓
Hi High (pH 8-9.5) 2.31 4.81 -6.6 1 4 0 43 278.425 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-ethyl-2-(4-methylthiazol-2-yl)-1-(2-propylpyrazol-3-yl)ethanamine (1S)-N-ethyl-2-(4-methylthiazol-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.31 6.44 -46.68 2 4 1 47 279.433 7 ↓
Hi High (pH 8-9.5) 2.31 5.43 -6.79 1 4 0 43 278.425 7 ↓

Analogs

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Popular Name: (1S)-N-ethyl-1-(2-ethylpyrazol-3-yl)-2-(4-methylthiazol-2-yl)ethanamine (1S)-N-ethyl-1-(2-ethylpyrazol-3…

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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) 1.81 5.72 -46.78 2 4 1 47 265.406 6 ↓
Hi High (pH 8-9.5) 1.81 4.74 -6.49 1 4 0 43 264.398 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-ethyl-1-(2-ethylpyrazol-3-yl)-2-(4-methylthiazol-2-yl)ethanamine (1R)-N-ethyl-1-(2-ethylpyrazol-3…

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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) 1.81 5.7 -39.65 2 4 1 47 265.406 6 ↓
Hi High (pH 8-9.5) 1.81 3.99 -7.23 1 4 0 43 264.398 6 ↓

Analogs

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Popular Name: N-[(1S)-2-(4-methylthiazol-2-yl)-1-(2-propylpyrazol-3-yl)ethyl]propan-1-amine N-[(1S)-2-(4-methylthiazol-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) 2.81 7.2 -47.05 2 4 1 47 293.46 8 ↓
Hi High (pH 8-9.5) 2.81 6.25 -5.98 1 4 0 43 292.452 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-(4-methylthiazol-2-yl)-1-(2-propylpyrazol-3-yl)ethyl]propan-1-amine N-[(1R)-2-(4-methylthiazol-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) 2.81 7.23 -40.19 2 4 1 47 293.46 8 ↓
Hi High (pH 8-9.5) 2.81 5.53 -6.83 1 4 0 43 292.452 8 ↓

Analogs

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Popular Name: N-[(1S)-1-(2-ethylpyrazol-3-yl)-2-(4-methylthiazol-2-yl)ethyl]propan-1-amine N-[(1S)-1-(2-ethylpyrazol-3-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) 2.31 6.46 -37.36 2 4 1 47 279.433 7 ↓
Hi High (pH 8-9.5) 2.31 5.48 -6.31 1 4 0 43 278.425 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(2-ethylpyrazol-3-yl)-2-(4-methylthiazol-2-yl)ethyl]propan-1-amine N-[(1R)-1-(2-ethylpyrazol-3-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) 2.31 6.47 -40.2 2 4 1 47 279.433 7 ↓
Hi High (pH 8-9.5) 2.31 5.4 -6.77 1 4 0 43 278.425 7 ↓

Parameters Provided:

ring.id = 343192
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 = 343192 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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