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

Analogs

43497733
43497733

Draw Identity 99% 90% 80% 70%

Popular Name: 1-methyl-4-[(4-methyl-4-piperidyl)methyl]-1,4-diazepane 1-methyl-4-[(4-methyl-4-piperidy…

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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) 0.96 5.64 -80.6 3 3 2 24 227.396 2 ↓
Hi High (pH 8-9.5) 0.96 3.53 -37.19 2 3 1 23 226.388 2 ↓
Lo Low (pH 4.5-6) 0.96 7.08 -181.78 4 3 3 25 228.404 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(4-ethyl-4-piperidyl)methyl]-4-methyl-1,4-diazepane 1-[(4-ethyl-4-piperidyl)methyl]-…

Find On: PubMed — Wikipedia — Google

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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) 1.29 6.43 -84.44 3 3 2 24 241.423 3 ↓
Hi High (pH 8-9.5) 1.29 3.97 -38.5 2 3 1 23 240.415 3 ↓
Lo Low (pH 4.5-6) 1.29 7.37 -193.84 4 3 3 25 242.431 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-methyl-4-[(4-propyl-4-piperidyl)methyl]-1,4-diazepane 1-methyl-4-[(4-propyl-4-piperidy…

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) 1.85 7.2 -85.28 3 3 2 24 255.45 4 ↓
Hi High (pH 8-9.5) 1.85 4.73 -39.02 2 3 1 23 254.442 4 ↓
Lo Low (pH 4.5-6) 1.85 8.13 -196.27 4 3 3 25 256.458 4 ↓

Parameters Provided:

ring.id = 270682
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 = 270682 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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