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Popular Name: 4-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)benzoic 4-(imidazo[1,2-a]pyrimidin-2-ylm…

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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) 2.56 10.98 -60.62 0 5 -1 70 284.32 4 ↓

Analogs

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Popular Name: 4-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)aniline 4-(imidazo[1,2-a]pyrimidin-2-ylm…

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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) 1.72 8.32 -16.88 2 4 0 56 256.334 3 ↓

Analogs

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Popular Name: 2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-5-methyl-aniline 2-(imidazo[1,2-a]pyrimidin-2-ylm…

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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) 2.50 9.05 -16.34 2 4 0 56 270.361 3 ↓

Analogs

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Popular Name: 4-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-3-methyl-aniline 4-(imidazo[1,2-a]pyrimidin-2-ylm…

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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) 2.10 8.88 -16.85 2 4 0 56 270.361 3 ↓

Analogs

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Popular Name: 3-fluoro-4-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)aniline 3-fluoro-4-(imidazo[1,2-a]pyrimi…

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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 8.35 -19.02 2 4 0 56 274.324 3 ↓

Analogs

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Popular Name: 5-fluoro-2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)aniline 5-fluoro-2-(imidazo[1,2-a]pyrimi…

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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) 2.22 8.45 -16.03 2 4 0 56 274.324 3 ↓

Analogs

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Popular Name: 3-chloro-2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)aniline 3-chloro-2-(imidazo[1,2-a]pyrimi…

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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 8.96 -15.34 2 4 0 56 290.779 3 ↓

Analogs

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Popular Name: 3-chloro-4-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)aniline 3-chloro-4-(imidazo[1,2-a]pyrimi…

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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) 2.33 8.77 -17.81 2 4 0 56 290.779 3 ↓

Analogs

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Popular Name: 5-bromo-2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)aniline 5-bromo-2-(imidazo[1,2-a]pyrimid…

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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) 2.87 9.01 -15.56 2 4 0 56 335.23 3 ↓

Analogs

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Popular Name: 5-chloro-2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]aniline 5-chloro-2-[(5,7-dimethylimidazo…

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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) 3.40 10.05 -15.27 2 4 0 56 318.833 3 ↓

Analogs

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Popular Name: 4-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]aniline 4-[(5,7-dimethylimidazo[1,2-a]py…

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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) 2.38 9.46 -16.64 2 4 0 56 284.388 3 ↓

Analogs

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Popular Name: 2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-5-methyl-aniline 2-[(5,7-dimethylimidazo[1,2-a]py…

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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) 3.17 10.17 -15.99 2 4 0 56 298.415 3 ↓

Analogs

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Popular Name: 4-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-3-methyl-aniline 4-[(5,7-dimethylimidazo[1,2-a]py…

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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) 2.76 9.99 -16.54 2 4 0 56 298.415 3 ↓

Analogs

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Popular Name: 4-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-3-fluoro-aniline 4-[(5,7-dimethylimidazo[1,2-a]py…

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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 9.5 -18.74 2 4 0 56 302.378 3 ↓

Analogs

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Popular Name: 2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-5-fluoro-aniline 2-[(5,7-dimethylimidazo[1,2-a]py…

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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) 2.88 9.6 -15.69 2 4 0 56 302.378 3 ↓

Analogs

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Popular Name: 3-chloro-2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]aniline 3-chloro-2-[(5,7-dimethylimidazo…

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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) 3.37 10.1 -15.05 2 4 0 56 318.833 3 ↓

Analogs

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Popular Name: 3-chloro-4-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]aniline 3-chloro-4-[(5,7-dimethylimidazo…

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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) 2.99 9.91 -17.55 2 4 0 56 318.833 3 ↓

Analogs

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Popular Name: 5-bromo-2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]aniline 5-bromo-2-[(5,7-dimethylimidazo[…

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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) 3.53 10.16 -15.23 2 4 0 56 363.284 3 ↓

Analogs

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Popular Name: 4-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]phenol 4-[(5,7-dimethylimidazo[1,2-a]py…

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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) 2.83 8.72 -17.14 1 4 0 50 285.372 3 ↓

Parameters Provided:

ring.id = 126083
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 = 126083 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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