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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: 2-[4-[2-(cyclopropylamino)acetyl]-1,4-diazepan-1-yl]-N,N-dimethyl-acetamide 2-[4-[2-(cyclopropylamino)acetyl…

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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) -1.11 5.93 -98 3 6 2 62 284.404 5 ↓
Hi High (pH 8-9.5) -1.11 4.2 -46.12 2 6 1 60 283.396 5 ↓
Hi High (pH 8-9.5) -1.11 4.66 -43.65 2 6 1 57 283.396 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[2-(cyclopropylamino)acetyl]-1,4-diazepan-1-yl]acetamide 2-[4-[2-(cyclopropylamino)acetyl…

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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 2.55 -94.69 5 6 2 84 256.35 5 ↓
Hi High (pH 8-9.5) -1.29 0.93 -43.99 4 6 1 83 255.342 5 ↓
Hi High (pH 8-9.5) -1.29 -0.36 -11.72 3 6 0 79 254.334 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(cyclopropylamino)-1-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]ethanone 2-(cyclopropylamino)-1-[4-(2-met…

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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) -0.04 5.57 -90.24 3 5 2 51 257.378 6 ↓
Hi High (pH 8-9.5) -0.04 4.28 -36.88 2 5 1 46 256.37 6 ↓

Parameters Provided:

ring.id = 578258
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 = 578258 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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