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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: 2-[(3S)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1-piperidyl]-6-methyl-imidazo[2,1-b][1,3,4]thiad 2-[(3S)-3-[(3,5-dimethyl-1,2,4-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) 1.24 9.79 -17.85 0 7 0 64 331.449 3 ↓
Lo Low (pH 4.5-6) 1.24 10.24 -31.64 1 7 1 65 332.457 3 ↓
Lo Low (pH 4.5-6) 1.24 10.67 -70.44 2 7 2 67 333.465 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3R)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1-piperidyl]-6-methyl-imidazo[2,1-b][1,3,4]thiad 2-[(3R)-3-[(3,5-dimethyl-1,2,4-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) 1.24 9.09 -19.86 0 7 0 64 331.449 3 ↓
Lo Low (pH 4.5-6) 1.24 9.97 -73.78 2 7 2 67 333.465 3 ↓
Lo Low (pH 4.5-6) 1.24 9.54 -33.75 1 7 1 65 332.457 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-methyl-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)-1-piperidyl]imidazo[2,1-b][1,3,4]thiadiazole 6-methyl-2-[(3S)-3-(1,2,4-triazo…

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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) 1.07 10.08 -19.01 0 7 0 64 303.395 3 ↓
Lo Low (pH 4.5-6) 1.07 10.53 -32.02 1 7 1 65 304.403 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-methyl-2-[(3R)-3-(1,2,4-triazol-1-ylmethyl)-1-piperidyl]imidazo[2,1-b][1,3,4]thiadiazole 6-methyl-2-[(3R)-3-(1,2,4-triazo…

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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) 1.07 10.17 -17.25 0 7 0 64 303.395 3 ↓
Lo Low (pH 4.5-6) 1.07 10.62 -30.18 1 7 1 65 304.403 3 ↓

Parameters Provided:

ring.id = 402851
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 = 402851 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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