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Analogs

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Popular Name: N-cyclopropyl-2-(1,4-diazepan-1-yl)-N-ethyl-2-oxo-acetamide N-cyclopropyl-2-(1,4-diazepan-1-…

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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) -0.68 4.25 -47.56 2 5 1 57 240.327 3 ↓
Hi High (pH 8-9.5) -0.68 3.11 -4.98 1 5 0 53 239.319 3 ↓

Analogs

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Popular Name: N-cyclopropyl-2-(1,4-diazepan-1-yl)-N-methyl-2-oxo-acetamide N-cyclopropyl-2-(1,4-diazepan-1-…

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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) -1.05 3.43 -47.77 2 5 1 57 226.3 2 ↓
Hi High (pH 8-9.5) -1.05 2.29 -5.33 1 5 0 53 225.292 2 ↓

Analogs

37819308
37819308
37823720
37823720
44682045
44682045
44682047
44682047

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Popular Name: N-cyclopropyl-2-(1,4-diazepan-1-yl)-2-oxo-N-propyl-acetamide N-cyclopropyl-2-(1,4-diazepan-1-…

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) -0.17 5.01 -47.5 2 5 1 57 254.354 4 ↓
Hi High (pH 8-9.5) -0.17 3.86 -4.78 1 5 0 53 253.346 4 ↓

Parameters Provided:

ring.id = 138203
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 = 138203 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=138203&filter.purchasability=annotated

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