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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: (1R)-1-(1-ethylimidazol-2-yl)-2-(2-methylthiazol-4-yl)ethanamine (1R)-1-(1-ethylimidazol-2-yl)-2-…

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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) -1.35 4.57 -29.99 3 4 1 58 237.352 4 ↓
Hi High (pH 8-9.5) -1.35 4.01 -7.98 2 4 0 57 236.344 4 ↓
Mid Mid (pH 6-8) -1.35 4.59 -32.52 3 4 1 58 237.352 4 ↓

Analogs

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Popular Name: (1S)-1-(1-ethylimidazol-2-yl)-2-(2-methylthiazol-4-yl)ethanamine (1S)-1-(1-ethylimidazol-2-yl)-2-…

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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) -1.35 4.02 -28 3 4 1 58 237.352 4 ↓
Hi High (pH 8-9.5) -1.35 3.5 -7.5 2 4 0 57 236.344 4 ↓
Mid Mid (pH 6-8) -1.35 3.81 -35.68 3 4 1 58 237.352 4 ↓

Analogs

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

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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) 0.91 4.84 -26.64 2 4 1 44 251.379 5 ↓
Hi High (pH 8-9.5) 0.91 4.29 -8.26 1 4 0 43 250.371 5 ↓
Mid Mid (pH 6-8) 0.91 6.23 -96.13 3 4 2 49 252.387 5 ↓

Analogs

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

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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) 0.91 5.73 -30.34 2 4 1 44 251.379 5 ↓
Hi High (pH 8-9.5) 0.91 5.19 -8.16 1 4 0 43 250.371 5 ↓
Mid Mid (pH 6-8) 0.91 6.66 -93.23 3 4 2 49 252.387 5 ↓

Analogs

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Popular Name: N-[(1S)-1-(1-methylimidazol-2-yl)-2-(2-methylthiazol-4-yl)ethyl]propan-1-amine N-[(1S)-1-(1-methylimidazol-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) 1.41 5.59 -26.75 2 4 1 44 265.406 6 ↓
Hi High (pH 8-9.5) 1.41 5.04 -8.22 1 4 0 43 264.398 6 ↓
Mid Mid (pH 6-8) 1.41 7 -97.74 3 4 2 49 266.414 6 ↓

Analogs

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Popular Name: N-[(1R)-1-(1-methylimidazol-2-yl)-2-(2-methylthiazol-4-yl)ethyl]propan-1-amine N-[(1R)-1-(1-methylimidazol-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) 1.41 6.48 -30.41 2 4 1 44 265.406 6 ↓
Hi High (pH 8-9.5) 1.41 5.91 -8.02 1 4 0 43 264.398 6 ↓
Mid Mid (pH 6-8) 1.41 7.42 -94.5 3 4 2 49 266.414 6 ↓

Analogs

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Popular Name: (1R)-2-(2-methylthiazol-4-yl)-1-(1-propylimidazol-2-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) 0.85 4.42 -9.44 1 4 0 51 251.355 5 ↓
Mid Mid (pH 6-8) 0.85 4.98 -31.92 2 4 1 52 252.363 5 ↓

Analogs

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Popular Name: (1S)-2-(2-methylthiazol-4-yl)-1-(1-propylimidazol-2-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) 0.85 4.06 -8.25 1 4 0 51 251.355 5 ↓
Mid Mid (pH 6-8) 0.85 4.62 -32.19 2 4 1 52 252.363 5 ↓

Analogs

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Popular Name: (1R)-2-(2-methylthiazol-4-yl)-1-(1-propylimidazol-2-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) -0.84 5.56 -27.7 3 4 1 58 251.379 5 ↓
Hi High (pH 8-9.5) -0.84 4.76 -7.66 2 4 0 57 250.371 5 ↓
Mid Mid (pH 6-8) -0.84 5.34 -32.47 3 4 1 58 251.379 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2-(2-methylthiazol-4-yl)-1-(1-propylimidazol-2-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) -0.84 4.82 -29.86 3 4 1 58 251.379 5 ↓
Hi High (pH 8-9.5) -0.84 4.26 -7.16 2 4 0 57 250.371 5 ↓
Mid Mid (pH 6-8) -0.84 4.57 -35.57 3 4 1 58 251.379 5 ↓

Analogs

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Popular Name: (1R)-N-methyl-2-(2-methylthiazol-4-yl)-1-(1-propylimidazol-2-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) 1.41 6.22 -29.01 2 4 1 44 265.406 6 ↓
Hi High (pH 8-9.5) 1.41 5.79 -9.55 1 4 0 43 264.398 6 ↓
Mid Mid (pH 6-8) 1.41 7.49 -94.45 3 4 2 49 266.414 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-methyl-2-(2-methylthiazol-4-yl)-1-(1-propylimidazol-2-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) 1.41 5.73 -29.4 2 4 1 44 265.406 6 ↓
Hi High (pH 8-9.5) 1.41 5.26 -6.59 1 4 0 43 264.398 6 ↓
Mid Mid (pH 6-8) 1.41 6.03 -31.66 2 4 1 47 265.406 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 0.91 5.47 -28.96 2 4 1 44 251.379 5 ↓
Hi High (pH 8-9.5) 0.91 5.04 -9.94 1 4 0 43 250.371 5 ↓
Mid Mid (pH 6-8) 0.91 6.73 -93.37 3 4 2 49 252.387 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 0.91 4.97 -29.23 2 4 1 44 251.379 5 ↓
Hi High (pH 8-9.5) 0.91 4.5 -6.91 1 4 0 43 250.371 5 ↓
Mid Mid (pH 6-8) 0.91 5.82 -97.83 3 4 2 49 252.387 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-ethyl-2-(2-methylthiazol-4-yl)-1-(1-propylimidazol-2-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) 1.78 7.12 -29.17 2 4 1 44 279.433 7 ↓
Hi High (pH 8-9.5) 1.78 6.72 -9.41 1 4 0 43 278.425 7 ↓
Mid Mid (pH 6-8) 1.78 8.21 -93.43 3 4 2 49 280.441 7 ↓

Analogs

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Popular Name: (1S)-N-ethyl-2-(2-methylthiazol-4-yl)-1-(1-propylimidazol-2-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) 1.78 6.65 -29.48 2 4 1 44 279.433 7 ↓
Hi High (pH 8-9.5) 1.78 6.18 -6.32 1 4 0 43 278.425 7 ↓
Mid Mid (pH 6-8) 1.78 7.97 -94.01 3 4 2 49 280.441 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.28 5.62 -26.12 2 4 1 44 265.406 6 ↓
Hi High (pH 8-9.5) 1.28 5.14 -7.93 1 4 0 43 264.398 6 ↓
Mid Mid (pH 6-8) 1.28 7.23 -92.97 3 4 2 49 266.414 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.28 6.32 -27.27 2 4 1 44 265.406 6 ↓
Hi High (pH 8-9.5) 1.28 6.11 -7.88 1 4 0 43 264.398 6 ↓
Mid Mid (pH 6-8) 1.28 7.55 -92.73 3 4 2 49 266.414 6 ↓

Analogs

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Popular Name: N-[(1S)-2-(2-methylthiazol-4-yl)-1-(1-propylimidazol-2-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) 2.29 7.14 -26.38 2 4 1 44 293.46 8 ↓
Hi High (pH 8-9.5) 2.29 6.64 -7.51 1 4 0 43 292.452 8 ↓
Mid Mid (pH 6-8) 2.29 8.75 -94.93 3 4 2 49 294.468 8 ↓

Analogs

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Popular Name: N-[(1R)-2-(2-methylthiazol-4-yl)-1-(1-propylimidazol-2-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) 2.29 7.82 -27.35 2 4 1 44 293.46 8 ↓
Hi High (pH 8-9.5) 2.29 7.62 -7.32 1 4 0 43 292.452 8 ↓
Mid Mid (pH 6-8) 2.29 8.44 -27.62 2 4 1 47 293.46 8 ↓

Analogs

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Popular Name: N-[(1S)-1-(1-ethylimidazol-2-yl)-2-(2-methylthiazol-4-yl)ethyl]propan-1-amine N-[(1S)-1-(1-ethylimidazol-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) 1.78 6.38 -26.21 2 4 1 44 279.433 7 ↓
Hi High (pH 8-9.5) 1.78 5.89 -7.78 1 4 0 43 278.425 7 ↓
Mid Mid (pH 6-8) 1.78 7.99 -94.4 3 4 2 49 280.441 7 ↓

Analogs

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Popular Name: N-[(1R)-1-(1-ethylimidazol-2-yl)-2-(2-methylthiazol-4-yl)ethyl]propan-1-amine N-[(1R)-1-(1-ethylimidazol-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) 1.78 7.07 -27.23 2 4 1 44 279.433 7 ↓
Hi High (pH 8-9.5) 1.78 6.88 -7.74 1 4 0 43 278.425 7 ↓
Mid Mid (pH 6-8) 1.78 8.31 -93.91 3 4 2 49 280.441 7 ↓

Parameters Provided:

ring.id = 264229
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 = 264229 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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