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Analogs

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Popular Name: (1R)-1-(4-fluorophenyl)-2-[methyl-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]ethanol (1R)-1-(4-fluorophenyl)-2-[methy…

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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) 2.12 6.79 -14.51 1 5 0 54 306.366 4 ↓
Lo Low (pH 4.5-6) 2.12 7.2 -29.74 2 5 1 55 307.374 4 ↓

Analogs

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Popular Name: (1S)-1-(4-fluorophenyl)-2-[methyl-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]ethanol (1S)-1-(4-fluorophenyl)-2-[methy…

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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) 2.12 6.73 -14.86 1 5 0 54 306.366 4 ↓
Lo Low (pH 4.5-6) 2.12 7.17 -30.29 2 5 1 55 307.374 4 ↓

Analogs

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Popular Name: N,6-dimethyl-N-phenethyl-imidazo[2,1-b][1,3,4]thiadiazol-2-amine N,6-dimethyl-N-phenethyl-imidazo…

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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) 2.95 9.73 -11.11 0 4 0 33 272.377 4 ↓
Lo Low (pH 4.5-6) 2.95 10.19 -26.53 1 4 1 35 273.385 4 ↓

Analogs

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Popular Name: (1R)-1-(3-fluorophenyl)-2-[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]ethanol (1R)-1-(3-fluorophenyl)-2-[(6-me…

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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) 1.85 4.89 -13.08 2 5 0 62 292.339 4 ↓
Mid Mid (pH 6-8) 1.85 5.38 -29.92 3 5 1 64 293.347 4 ↓

Analogs

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Popular Name: (1S)-1-(3-fluorophenyl)-2-[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]ethanol (1S)-1-(3-fluorophenyl)-2-[(6-me…

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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) 1.85 4.82 -13.25 2 5 0 62 292.339 4 ↓
Mid Mid (pH 6-8) 1.85 5.31 -30.03 3 5 1 64 293.347 4 ↓

Analogs

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Popular Name: N-[2-(3,5-dichlorophenyl)ethyl]-6-methyl-imidazo[2,1-b][1,3,4]thiadiazol-2-amine N-[2-(3,5-dichlorophenyl)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) 3.99 8.93 -11.93 1 4 0 42 327.24 4 ↓
Mid Mid (pH 6-8) 3.99 9.43 -29.62 2 4 1 43 328.248 4 ↓

Analogs

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Popular Name: N-[(1S)-2-(3-chlorophenyl)-1-methyl-ethyl]-6-methyl-imidazo[2,1-b][1,3,4]thiadiazol-2-amine N-[(1S)-2-(3-chlorophenyl)-1-met…

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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) 3.69 9.29 -12.26 1 4 0 42 306.822 4 ↓
Mid Mid (pH 6-8) 3.69 9.8 -28.54 2 4 1 43 307.83 4 ↓

Analogs

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Popular Name: N-[(1R)-2-(3-chlorophenyl)-1-methyl-ethyl]-6-methyl-imidazo[2,1-b][1,3,4]thiadiazol-2-amine N-[(1R)-2-(3-chlorophenyl)-1-met…

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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) 3.69 9.3 -12.54 1 4 0 42 306.822 4 ↓
Mid Mid (pH 6-8) 3.69 9.81 -26.74 2 4 1 43 307.83 4 ↓

Analogs

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Popular Name: 6-methyl-N-[(1R)-1-methyl-2-(o-tolyl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine 6-methyl-N-[(1R)-1-methyl-2-(o-t…

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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) 3.44 9.16 -11.61 1 4 0 42 286.404 4 ↓
Mid Mid (pH 6-8) 3.44 9.68 -26.47 2 4 1 43 287.412 4 ↓

Analogs

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Popular Name: 6-methyl-N-[(1S)-1-methyl-2-(o-tolyl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine 6-methyl-N-[(1S)-1-methyl-2-(o-t…

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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) 3.44 9.19 -11.46 1 4 0 42 286.404 4 ↓
Mid Mid (pH 6-8) 3.44 9.7 -26.5 2 4 1 43 287.412 4 ↓

Analogs

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Popular Name: N-[2-(2-chlorophenyl)ethyl]-6-methyl-imidazo[2,1-b][1,3,4]thiadiazol-2-amine N-[2-(2-chlorophenyl)ethyl]-6-me…

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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) 3.34 8.34 -10.79 1 4 0 42 292.795 4 ↓
Mid Mid (pH 6-8) 3.34 8.83 -27.03 2 4 1 43 293.803 4 ↓

Parameters Provided:

ring.id = 86026
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 = 86026 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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