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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (6R)-N-[[1-methyl-3-(4-pyridyl)pyrazol-4-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin (6R)-N-[[1-methyl-3-(4-pyridyl)p…

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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) -0.19 6.81 -58.47 2 7 1 78 310.385 4 ↓
Hi High (pH 8-9.5) -0.19 5.66 -13.41 1 7 0 73 309.377 4 ↓
Lo Low (pH 4.5-6) -0.19 7.27 -115.54 3 7 2 79 311.393 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-N-[[1-methyl-3-(4-pyridyl)pyrazol-4-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin (6S)-N-[[1-methyl-3-(4-pyridyl)p…

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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) -0.19 6.8 -57.32 2 7 1 78 310.385 4 ↓
Hi High (pH 8-9.5) -0.19 5.62 -12.79 1 7 0 73 309.377 4 ↓
Lo Low (pH 4.5-6) -0.19 7.26 -119.07 3 7 2 79 311.393 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6R)-2-methyl-N-[[1-methyl-3-(4-pyridyl)pyrazol-4-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5- (6R)-2-methyl-N-[[1-methyl-3-(4-…

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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) -0.10 6.69 -59.06 2 7 1 78 324.412 4 ↓
Hi High (pH 8-9.5) -0.10 6.29 -16.29 1 7 0 73 323.404 4 ↓
Lo Low (pH 4.5-6) -0.10 7.15 -115.62 3 7 2 79 325.42 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-2-methyl-N-[[1-methyl-3-(4-pyridyl)pyrazol-4-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5- (6S)-2-methyl-N-[[1-methyl-3-(4-…

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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) -0.10 6.69 -57.66 2 7 1 78 324.412 4 ↓
Hi High (pH 8-9.5) -0.10 6.47 -15.5 1 7 0 73 323.404 4 ↓
Lo Low (pH 4.5-6) -0.10 7.15 -119.42 3 7 2 79 325.42 4 ↓

Parameters Provided:

ring.id = 432158
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 = 432158 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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