UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

36904428
36904428
35773284
35773284
37093060
37093060
37039808
37039808

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Popular Name: 2-[4-[2-(cyclopentylamino)acetyl]-1,4-diazepan-1-yl]acetamide 2-[4-[2-(cyclopentylamino)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) -0.26 3.7 -97.51 5 6 2 84 284.404 5 ↓
Hi High (pH 8-9.5) -0.26 2.08 -45.44 4 6 1 83 283.396 5 ↓
Hi High (pH 8-9.5) -0.26 0.93 -11.3 3 6 0 79 282.388 5 ↓

Analogs

23960881
23960881
36904428
36904428
37387691
37387691
35773284
35773284
37093060
37093060

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Popular Name: 2-(cyclopentylamino)-1-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]ethanone 2-(cyclopentylamino)-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) 1.00 6.77 -93.13 3 5 2 51 285.432 6 ↓
Hi High (pH 8-9.5) 1.00 5.56 -36.26 2 5 1 46 284.424 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[cyclopentyl-[2-(1,4-diazepan-1-yl)-2-oxo-ethyl]amino]acetamide 2-[cyclopentyl-[2-(1,4-diazepan-…

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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) -0.61 3.08 -97.41 5 6 2 84 284.404 5 ↓
Hi High (pH 8-9.5) -0.61 1.24 -51.19 4 6 1 83 283.396 5 ↓

Parameters Provided:

ring.id = 579448
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 = 579448 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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