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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: 5-(2-pyridylmethyl)-3-[4-(trifluoromethyl)phenyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine 5-(2-pyridylmethyl)-3-[4-(triflu…

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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) 3.13 9.38 -46.22 2 4 1 46 359.375 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-chlorophenyl)-5-[(3,4-dimethoxy-2-pyridyl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine 3-(4-chlorophenyl)-5-[(3,4-dimet…

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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) 3.09 6.25 -10.27 1 6 0 63 384.867 5 ↓
Mid Mid (pH 6-8) 3.09 6.47 -43.16 2 6 1 65 385.875 5 ↓
Lo Low (pH 4.5-6) 3.09 8.46 -38.92 2 6 1 64 385.875 5 ↓

Parameters Provided:

ring.id = 51781
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 = 51781 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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