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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-(2-methylthiazol-4-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 4.6 -37.49 2 4 1 47 251.379 5 ↓
Hi High (pH 8-9.5) 1.43 3.74 -6.69 1 4 0 43 250.371 5 ↓

Analogs

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Popular Name: (1R)-N-ethyl-1-(2-methylpyrazol-3-yl)-2-(2-methylthiazol-4-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 5.53 -33.63 2 4 1 47 251.379 5 ↓
Hi High (pH 8-9.5) 1.43 4.44 -6.85 1 4 0 43 250.371 5 ↓

Analogs

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Popular Name: N-[(1S)-1-(2-methylpyrazol-3-yl)-2-(2-methylthiazol-4-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 5.36 -38.03 2 4 1 47 265.406 6 ↓
Hi High (pH 8-9.5) 1.94 4.51 -6.63 1 4 0 43 264.398 6 ↓

Analogs

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Popular Name: N-[(1R)-1-(2-methylpyrazol-3-yl)-2-(2-methylthiazol-4-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 6.29 -34.02 2 4 1 47 265.406 6 ↓
Hi High (pH 8-9.5) 1.94 5.19 -6.72 1 4 0 43 264.398 6 ↓

Analogs

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Popular Name: (1R)-2-(2-methylthiazol-4-yl)-1-(2-propylpyrazol-3-yl)ethanol (1R)-2-(2-methylthiazol-4-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 3.71 -8.37 1 4 0 51 251.355 5 ↓

Analogs

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Popular Name: (1S)-2-(2-methylthiazol-4-yl)-1-(2-propylpyrazol-3-yl)ethanol (1S)-2-(2-methylthiazol-4-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 3.46 -9.03 1 4 0 51 251.355 5 ↓

Analogs

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Popular Name: (1R)-2-(2-methylthiazol-4-yl)-1-(2-propylpyrazol-3-yl)ethanamine (1R)-2-(2-methylthiazol-4-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 4.51 -40.27 3 4 1 58 251.379 5 ↓
Hi High (pH 8-9.5) -0.32 4.19 -6.56 2 4 0 57 250.371 5 ↓

Analogs

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Popular Name: (1S)-2-(2-methylthiazol-4-yl)-1-(2-propylpyrazol-3-yl)ethanamine (1S)-2-(2-methylthiazol-4-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 3.93 -44.59 3 4 1 58 251.379 5 ↓
Hi High (pH 8-9.5) -0.32 3.65 -6.93 2 4 0 57 250.371 5 ↓

Analogs

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Popular Name: (1R)-N-methyl-2-(2-methylthiazol-4-yl)-1-(2-propylpyrazol-3-yl)ethanamine (1R)-N-methyl-2-(2-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 6.23 -35.05 2 4 1 47 265.406 6 ↓
Hi High (pH 8-9.5) 1.94 4.58 -6.25 1 4 0 43 264.398 6 ↓

Analogs

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Popular Name: (1S)-N-methyl-2-(2-methylthiazol-4-yl)-1-(2-propylpyrazol-3-yl)ethanamine (1S)-N-methyl-2-(2-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 5.59 -39.55 2 4 1 47 265.406 6 ↓
Hi High (pH 8-9.5) 1.94 4.53 -6.71 1 4 0 43 264.398 6 ↓

Analogs

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Popular Name: (1R)-1-(2-ethylpyrazol-3-yl)-N-methyl-2-(2-methylthiazol-4-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 5.49 -35.07 2 4 1 47 251.379 5 ↓
Hi High (pH 8-9.5) 1.43 3.84 -6.43 1 4 0 43 250.371 5 ↓

Analogs

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Popular Name: (1S)-1-(2-ethylpyrazol-3-yl)-N-methyl-2-(2-methylthiazol-4-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 4.82 -39.58 2 4 1 47 251.379 5 ↓
Hi High (pH 8-9.5) 1.43 3.76 -6.92 1 4 0 43 250.371 5 ↓

Analogs

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Popular Name: (1R)-N-ethyl-2-(2-methylthiazol-4-yl)-1-(2-propylpyrazol-3-yl)ethanamine (1R)-N-ethyl-2-(2-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 7 -33.37 2 4 1 47 279.433 7 ↓
Hi High (pH 8-9.5) 2.31 5.47 -5.98 1 4 0 43 278.425 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-ethyl-2-(2-methylthiazol-4-yl)-1-(2-propylpyrazol-3-yl)ethanamine (1S)-N-ethyl-2-(2-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 7.02 -38 2 4 1 47 279.433 7 ↓
Hi High (pH 8-9.5) 2.31 5.46 -6.44 1 4 0 43 278.425 7 ↓

Analogs

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Popular Name: (1S)-N-ethyl-1-(2-ethylpyrazol-3-yl)-2-(2-methylthiazol-4-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 5.34 -37.99 2 4 1 47 265.406 6 ↓
Hi High (pH 8-9.5) 1.81 4.51 -6.42 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-(2-methylthiazol-4-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 6.39 -33.45 2 4 1 47 265.406 6 ↓
Hi High (pH 8-9.5) 1.81 4.72 -6.44 1 4 0 43 264.398 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-2-(2-methylthiazol-4-yl)-1-(2-propylpyrazol-3-yl)ethyl]propan-1-amine N-[(1S)-2-(2-methylthiazol-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) 2.81 6.86 -38.3 2 4 1 47 293.46 8 ↓
Hi High (pH 8-9.5) 2.81 6.03 -6.03 1 4 0 43 292.452 8 ↓

Analogs

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Popular Name: N-[(1R)-2-(2-methylthiazol-4-yl)-1-(2-propylpyrazol-3-yl)ethyl]propan-1-amine N-[(1R)-2-(2-methylthiazol-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) 2.81 7.91 -33.83 2 4 1 47 293.46 8 ↓
Hi High (pH 8-9.5) 2.81 6.23 -6.03 1 4 0 43 292.452 8 ↓

Analogs

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Popular Name: N-[(1S)-1-(2-ethylpyrazol-3-yl)-2-(2-methylthiazol-4-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 6.34 -38.18 2 4 1 47 279.433 7 ↓
Hi High (pH 8-9.5) 2.31 5.26 -6.32 1 4 0 43 278.425 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(2-ethylpyrazol-3-yl)-2-(2-methylthiazol-4-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 7.15 -33.86 2 4 1 47 279.433 7 ↓
Hi High (pH 8-9.5) 2.31 6.06 -6.52 1 4 0 43 278.425 7 ↓

Parameters Provided:

ring.id = 343198
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 = 343198 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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