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Analogs

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Popular Name: N-[(1S)-2-imidazol-1-yl-1-methyl-ethyl]-4,5-dihydrothiazol-2-amine N-[(1S)-2-imidazol-1-yl-1-methyl…

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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) 0.41 5.8 -34.84 2 4 1 44 211.314 4 ↓
Hi High (pH 8-9.5) 0.41 5.82 -34.1 2 4 1 44 211.314 3 ↓
Mid Mid (pH 6-8) 0.41 6.33 -82.85 3 4 2 45 212.322 4 ↓

Analogs

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Popular Name: N-[(1R)-2-imidazol-1-yl-1-methyl-ethyl]-4,5-dihydrothiazol-2-amine N-[(1R)-2-imidazol-1-yl-1-methyl…

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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) 0.41 5.75 -34.01 2 4 1 44 211.314 4 ↓
Hi High (pH 8-9.5) 0.41 5.73 -34.18 2 4 1 44 211.314 3 ↓
Mid Mid (pH 6-8) 0.41 6.26 -85.17 3 4 2 45 212.322 4 ↓

Analogs

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Popular Name: (4R)-4-ethyl-N-[(1S)-2-imidazol-1-yl-1-methyl-ethyl]-4,5-dihydrothiazol-2-amine (4R)-4-ethyl-N-[(1S)-2-imidazol-…

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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) 1.27 7.33 -33.1 2 4 1 44 239.368 5 ↓
Mid Mid (pH 6-8) 1.27 7.84 -82.4 3 4 2 45 240.376 5 ↓

Analogs

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Popular Name: (4S)-4-ethyl-N-[(1S)-2-imidazol-1-yl-1-methyl-ethyl]-4,5-dihydrothiazol-2-amine (4S)-4-ethyl-N-[(1S)-2-imidazol-…

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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) 1.27 7.33 -33.27 2 4 1 44 239.368 5 ↓
Mid Mid (pH 6-8) 1.27 7.84 -82.28 3 4 2 45 240.376 5 ↓

Analogs

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Popular Name: (4R)-4-ethyl-N-[(1R)-2-imidazol-1-yl-1-methyl-ethyl]-4,5-dihydrothiazol-2-amine (4R)-4-ethyl-N-[(1R)-2-imidazol-…

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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) 1.27 7.28 -32.67 2 4 1 44 239.368 5 ↓
Mid Mid (pH 6-8) 1.27 7.79 -84.19 3 4 2 45 240.376 5 ↓

Analogs

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Popular Name: (4S)-4-ethyl-N-[(1R)-2-imidazol-1-yl-1-methyl-ethyl]-4,5-dihydrothiazol-2-amine (4S)-4-ethyl-N-[(1R)-2-imidazol-…

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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) 1.27 7.28 -32.57 2 4 1 44 239.368 5 ↓
Mid Mid (pH 6-8) 1.27 7.79 -84.26 3 4 2 45 240.376 5 ↓

Analogs

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Popular Name: N-[(1S)-2-imidazol-1-yl-1-methyl-ethyl]-4,4-dimethyl-5H-thiazol-2-amine N-[(1S)-2-imidazol-1-yl-1-methyl…

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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) 1.22 7.17 -32.47 2 4 1 44 239.368 4 ↓
Mid Mid (pH 6-8) 1.22 7.69 -81.15 3 4 2 45 240.376 4 ↓

Analogs

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Popular Name: N-[(1R)-2-imidazol-1-yl-1-methyl-ethyl]-4,4-dimethyl-5H-thiazol-2-amine N-[(1R)-2-imidazol-1-yl-1-methyl…

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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) 1.22 7.11 -31.65 2 4 1 44 239.368 4 ↓
Mid Mid (pH 6-8) 1.22 7.63 -83.49 3 4 2 45 240.376 4 ↓

Analogs

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Popular Name: (5R)-N-[(1S)-2-imidazol-1-yl-1-methyl-ethyl]-5-methyl-4,5-dihydrothiazol-2-amine (5R)-N-[(1S)-2-imidazol-1-yl-1-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) 0.77 6.53 -33.82 2 4 1 44 225.341 4 ↓
Hi High (pH 8-9.5) 0.77 6.51 -33.38 2 4 1 44 225.341 3 ↓
Mid Mid (pH 6-8) 0.77 7.04 -82.83 3 4 2 45 226.349 4 ↓

Analogs

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Popular Name: (5S)-N-[(1S)-2-imidazol-1-yl-1-methyl-ethyl]-5-methyl-4,5-dihydrothiazol-2-amine (5S)-N-[(1S)-2-imidazol-1-yl-1-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) 0.77 6.52 -34.09 2 4 1 44 225.341 4 ↓
Hi High (pH 8-9.5) 0.77 6.52 -33.47 2 4 1 44 225.341 3 ↓
Mid Mid (pH 6-8) 0.77 7.03 -82.64 3 4 2 45 226.349 4 ↓

Analogs

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Popular Name: (5R)-N-[(1R)-2-imidazol-1-yl-1-methyl-ethyl]-5-methyl-4,5-dihydrothiazol-2-amine (5R)-N-[(1R)-2-imidazol-1-yl-1-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) 0.77 6.46 -33.5 2 4 1 44 225.341 4 ↓
Hi High (pH 8-9.5) 0.77 6.41 -33.68 2 4 1 44 225.341 3 ↓
Mid Mid (pH 6-8) 0.77 6.97 -84.78 3 4 2 45 226.349 4 ↓

Analogs

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Popular Name: (5S)-N-[(1R)-2-imidazol-1-yl-1-methyl-ethyl]-5-methyl-4,5-dihydrothiazol-2-amine (5S)-N-[(1R)-2-imidazol-1-yl-1-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) 0.77 6.45 -33.55 2 4 1 44 225.341 4 ↓
Hi High (pH 8-9.5) 0.77 6.41 -33.91 2 4 1 44 225.341 3 ↓
Mid Mid (pH 6-8) 0.77 6.97 -84.88 3 4 2 45 226.349 4 ↓

Analogs

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Popular Name: (4R)-N-[(1S)-2-imidazol-1-yl-1-methyl-ethyl]-4-methyl-4,5-dihydrothiazol-2-amine (4R)-N-[(1S)-2-imidazol-1-yl-1-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) 0.74 6.54 -33.94 2 4 1 44 225.341 4 ↓
Mid Mid (pH 6-8) 0.74 7.05 -82.03 3 4 2 45 226.349 4 ↓

Analogs

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Popular Name: (4S)-N-[(1S)-2-imidazol-1-yl-1-methyl-ethyl]-4-methyl-4,5-dihydrothiazol-2-amine (4S)-N-[(1S)-2-imidazol-1-yl-1-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) 0.74 6.53 -33.33 2 4 1 44 225.341 4 ↓
Mid Mid (pH 6-8) 0.74 7.04 -82.01 3 4 2 45 226.349 4 ↓

Analogs

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Popular Name: (4R)-N-[(1R)-2-imidazol-1-yl-1-methyl-ethyl]-4-methyl-4,5-dihydrothiazol-2-amine (4R)-N-[(1R)-2-imidazol-1-yl-1-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) 0.74 6.49 -32.9 2 4 1 44 225.341 4 ↓
Mid Mid (pH 6-8) 0.74 7 -84.7 3 4 2 45 226.349 4 ↓

Analogs

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Popular Name: (4S)-N-[(1R)-2-imidazol-1-yl-1-methyl-ethyl]-4-methyl-4,5-dihydrothiazol-2-amine (4S)-N-[(1R)-2-imidazol-1-yl-1-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) 0.74 6.47 -32.73 2 4 1 44 225.341 4 ↓
Mid Mid (pH 6-8) 0.74 6.99 -84.01 3 4 2 45 226.349 4 ↓

Analogs

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Popular Name: (4R)-N-[(1S)-2-imidazol-1-yl-1-methyl-ethyl]-4-isobutyl-4,5-dihydrothiazol-2-amine (4R)-N-[(1S)-2-imidazol-1-yl-1-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) 2.05 8.6 -33.67 2 4 1 44 267.422 6 ↓
Mid Mid (pH 6-8) 2.05 9.13 -83.96 3 4 2 45 268.43 6 ↓

Analogs

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Popular Name: (4S)-N-[(1S)-2-imidazol-1-yl-1-methyl-ethyl]-4-isobutyl-4,5-dihydrothiazol-2-amine (4S)-N-[(1S)-2-imidazol-1-yl-1-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) 2.05 8.62 -33.81 2 4 1 44 267.422 6 ↓
Mid Mid (pH 6-8) 2.05 9.13 -83.71 3 4 2 45 268.43 6 ↓

Analogs

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Popular Name: (4R)-N-[(1R)-2-imidazol-1-yl-1-methyl-ethyl]-4-isobutyl-4,5-dihydrothiazol-2-amine (4R)-N-[(1R)-2-imidazol-1-yl-1-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) 2.05 8.55 -33.31 2 4 1 44 267.422 6 ↓
Mid Mid (pH 6-8) 2.05 9.06 -85.76 3 4 2 45 268.43 6 ↓

Analogs

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Popular Name: (4S)-N-[(1R)-2-imidazol-1-yl-1-methyl-ethyl]-4-isobutyl-4,5-dihydrothiazol-2-amine (4S)-N-[(1R)-2-imidazol-1-yl-1-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) 2.05 8.56 -33.13 2 4 1 44 267.422 6 ↓
Mid Mid (pH 6-8) 2.05 9.08 -85.86 3 4 2 45 268.43 6 ↓

Parameters Provided:

ring.id = 544821
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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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 = 544821 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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