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

Analogs

2790361
2790361
2790824
2790824
2791256
2791256
2791627
2791627
2792006
2792006

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Popular Name: methyl(4-pyridyl)BLAHcarboxylic-acid-ethyl-ester methyl(4-pyridyl)BLAHcarboxylic-…

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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) 2.58 0.55 -9.62 0 7 0 82 339.38 4 ↓

Analogs

2791501
2791501
2792041
2792041
2799089
2799089
2799681
2799681
6232994
6232994

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Popular Name: methyl(4-pyridyl)BLAHcarboxylic-acid-methyl-ester methyl(4-pyridyl)BLAHcarboxylic-…

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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) 2.21 0.58 -9.96 0 7 0 82 325.353 3 ↓

Analogs

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Popular Name: N,N-trimethyl-(4-pyridyl)BLAHcarboxamide N,N-trimethyl-(4-pyridyl)BLAHcar…

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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) 1.81 -0.44 -13.69 0 7 0 76 338.396 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: trimethyl(4-pyridyl)BLAH trimethyl(4-pyridyl)BLAH

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Activity (Go SEA)

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) 2.44 8.75 -9.82 0 5 0 56 295.371 1 ↓
Lo Low (pH 4.5-6) 2.44 9.21 -41.26 1 5 1 57 296.379 1 ↓

Parameters Provided:

ring.id = 236960
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 = 236960 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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