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Popular Name: 6-methyl-N-[(1R,2S)-1-methyl-2-(4-methylpyrazol-1-yl)propyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine 6-methyl-N-[(1R,2S)-1-methyl-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) 2.04 7.35 -11.52 1 6 0 60 290.396 4 ↓
Mid Mid (pH 6-8) 2.04 7.86 -30.16 2 6 1 61 291.404 4 ↓

Analogs

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Popular Name: 6-methyl-N-[(1R,2R)-1-methyl-2-(4-methylpyrazol-1-yl)propyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine 6-methyl-N-[(1R,2R)-1-methyl-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) 2.04 6.72 -13.2 1 6 0 60 290.396 4 ↓
Mid Mid (pH 6-8) 2.04 7.23 -30.58 2 6 1 61 291.404 4 ↓

Analogs

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Popular Name: 6-methyl-N-[(1S,2S)-1-methyl-2-(4-methylpyrazol-1-yl)propyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine 6-methyl-N-[(1S,2S)-1-methyl-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) 2.04 6.76 -13.04 1 6 0 60 290.396 4 ↓
Mid Mid (pH 6-8) 2.04 7.28 -30.64 2 6 1 61 291.404 4 ↓

Analogs

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Popular Name: 6-methyl-N-[(1S,2R)-1-methyl-2-(4-methylpyrazol-1-yl)propyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine 6-methyl-N-[(1S,2R)-1-methyl-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) 2.04 7.35 -11.53 1 6 0 60 290.396 4 ↓
Mid Mid (pH 6-8) 2.04 7.86 -30.1 2 6 1 61 291.404 4 ↓

Analogs

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Popular Name: 6-methyl-N-[(1R)-1-methyl-2-(4-methylpyrazol-1-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine 6-methyl-N-[(1R)-1-methyl-2-(4-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) 1.68 6.54 -15.03 1 6 0 60 276.369 4 ↓
Mid Mid (pH 6-8) 1.68 7.05 -29.45 2 6 1 61 277.377 4 ↓

Analogs

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Popular Name: 6-methyl-N-[(1S)-1-methyl-2-(4-methylpyrazol-1-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine 6-methyl-N-[(1S)-1-methyl-2-(4-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) 1.68 6.92 -14.97 1 6 0 60 276.369 4 ↓
Mid Mid (pH 6-8) 1.68 7.44 -26.75 2 6 1 61 277.377 4 ↓

Analogs

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Popular Name: 6-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine 6-methyl-N-[2-(4-methylpyrazol-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) 1.35 5.8 -13.93 1 6 0 60 262.342 4 ↓
Mid Mid (pH 6-8) 1.35 6.3 -31.17 2 6 1 61 263.35 4 ↓

Analogs

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Popular Name: 6-tert-butyl-N-(2-pyrazol-1-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine 6-tert-butyl-N-(2-pyrazol-1-ylet…

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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) 2.70 7.03 -13.62 1 6 0 60 290.396 5 ↓
Lo Low (pH 4.5-6) 2.70 7.37 -29.49 2 6 1 61 291.404 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 0.98 5.13 -14.22 1 6 0 60 248.315 4 ↓
Mid Mid (pH 6-8) 0.98 5.62 -31.43 2 6 1 61 249.323 4 ↓

Parameters Provided:

ring.id = 354239
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 = 354239 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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