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Analogs

8517791
8517791

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Popular Name: 1-[(4-chlorophenyl)methyl]-5-phenyl-imidazole-2-thiol 1-[(4-chlorophenyl)methyl]-5-phe…

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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) 3.93 10.92 -14.21 1 2 0 21 300.814 3 ↓

Analogs

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Popular Name: 1-[(4-methoxyphenyl)methyl]-5-phenyl-imidazole-2-thiol 1-[(4-methoxyphenyl)methyl]-5-ph…

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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) 3.31 9.81 -15.84 1 3 0 30 296.395 4 ↓

Analogs

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Popular Name: 1-[(2-chlorophenyl)methyl]-5-phenyl-imidazole-2-thiol 1-[(2-chlorophenyl)methyl]-5-phe…

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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) 3.88 10.75 -14.28 1 2 0 21 300.814 3 ↓

Analogs

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Popular Name: 1-[(2-methoxyphenyl)methyl]-5-phenyl-imidazole-2-thiol 1-[(2-methoxyphenyl)methyl]-5-ph…

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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) 3.26 10.2 -14.53 1 3 0 30 296.395 4 ↓

Analogs

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Popular Name: 5-phenyl-1-[(1S)-1-phenylethyl]imidazole-2-thiol 5-phenyl-1-[(1S)-1-phenylethyl]i…

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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) 3.61 10.64 -12.93 1 2 0 21 280.396 3 ↓

Analogs

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Popular Name: 5-phenyl-1-[(1R)-1-phenylethyl]imidazole-2-thiol 5-phenyl-1-[(1R)-1-phenylethyl]i…

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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) 3.61 11.27 -13.35 1 2 0 21 280.396 3 ↓

Analogs

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Popular Name: 1-[(2-fluorophenyl)methyl]-5-phenyl-imidazole-2-thiol 1-[(2-fluorophenyl)methyl]-5-phe…

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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) 3.36 10.91 -16.81 1 2 0 21 284.359 3 ↓

Analogs

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Popular Name: 5-phenyl-1-(p-tolylmethyl)imidazole-2-thiol 5-phenyl-1-(p-tolylmethyl)imidaz…

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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) 3.70 11.19 -14.52 1 2 0 21 280.396 3 ↓

Analogs

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Popular Name: 1-[(4-fluorophenyl)methyl]-5-phenyl-imidazole-2-thiol 1-[(4-fluorophenyl)methyl]-5-phe…

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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) 3.41 10.46 -14.86 1 2 0 21 284.359 3 ↓

Analogs

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Popular Name: 1-[(3-fluorophenyl)methyl]-5-phenyl-imidazole-2-thiol 1-[(3-fluorophenyl)methyl]-5-phe…

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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) 3.39 10.46 -13.2 1 2 0 21 284.359 3 ↓

Analogs

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Popular Name: 1-[(1S)-1-(4-fluorophenyl)ethyl]-5-phenyl-imidazole-2-thiol 1-[(1S)-1-(4-fluorophenyl)ethyl]…

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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) 3.78 10.71 -13.01 1 2 0 21 298.386 3 ↓

Analogs

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Popular Name: 1-[(1R)-1-(4-fluorophenyl)ethyl]-5-phenyl-imidazole-2-thiol 1-[(1R)-1-(4-fluorophenyl)ethyl]…

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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) 3.78 11.34 -13.76 1 2 0 21 298.386 3 ↓

Analogs

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Popular Name: 1-[(1S)-1-(2-fluorophenyl)ethyl]-5-phenyl-imidazole-2-thiol 1-[(1S)-1-(2-fluorophenyl)ethyl]…

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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) 3.73 10.76 -14.1 1 2 0 21 298.386 3 ↓

Analogs

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Popular Name: 1-[(1R)-1-(2-fluorophenyl)ethyl]-5-phenyl-imidazole-2-thiol 1-[(1R)-1-(2-fluorophenyl)ethyl]…

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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) 3.73 10.92 -14.05 1 2 0 21 298.386 3 ↓

Analogs

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Popular Name: 1-[(1S)-1-(3-fluorophenyl)ethyl]-5-phenyl-imidazole-2-thiol 1-[(1S)-1-(3-fluorophenyl)ethyl]…

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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) 3.75 10.71 -12.23 1 2 0 21 298.386 3 ↓

Analogs

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Popular Name: 1-[(1R)-1-(3-fluorophenyl)ethyl]-5-phenyl-imidazole-2-thiol 1-[(1R)-1-(3-fluorophenyl)ethyl]…

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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) 3.75 11.34 -13 1 2 0 21 298.386 3 ↓

Analogs

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Popular Name: 1-[(3,4-difluorophenyl)methyl]-5-phenyl-imidazole-2-thiol 1-[(3,4-difluorophenyl)methyl]-5…

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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) 3.50 10.5 -13.84 1 2 0 21 302.349 3 ↓

Parameters Provided:

ring.id = 566111
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 = 566111 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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