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

Analogs

472094
472094

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Popular Name: 4-pyridylmethyl 4-pyridylmethyl

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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 7.41 -6.43 0 3 0 39 231.226 4 ↓
Lo Low (pH 4.5-6) 2.58 7.86 -38.32 1 3 1 40 232.234 4 ↓

Analogs

40834828
40834828
1629268
1629268

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Popular Name: 4-pyridylmethyl 4-pyridylmethyl

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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) 2.50 7.41 -10.29 0 4 0 48 243.262 5 ↓
Lo Low (pH 4.5-6) 2.50 7.86 -39.99 1 4 1 50 244.27 5 ↓

Analogs

58798625
58798625

Draw Identity 99% 90% 80% 70%

Popular Name: 4-pyridylmethyl 4-pyridylmethyl

Find On: PubMed — Wikipedia — Google

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) 2.45 6.64 -8.96 0 4 0 48 243.262 5 ↓
Lo Low (pH 4.5-6) 2.45 7.1 -40.19 1 4 1 50 244.27 5 ↓

Analogs

58798625
58798625
472094
472094
20281078
20281078

Draw Identity 99% 90% 80% 70%

Popular Name: 4-pyridylmethyl 4-pyridylmethyl

Find On: PubMed — Wikipedia — Google

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) 2.47 6.66 -7.61 0 4 0 48 243.262 5 ↓
Lo Low (pH 4.5-6) 2.47 7.11 -38.25 1 4 1 50 244.27 5 ↓

Parameters Provided:

ring.id = 480404
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 = 480404 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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