UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

46065102
46065102

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Popular Name: 2-[4-(1-aminocyclopentanecarbonyl)-1,4-diazepan-1-yl]-N,N-dimethyl-acetamide 2-[4-(1-aminocyclopentanecarbony…

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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) -0.38 4.66 -108.25 4 6 2 73 298.431 3 ↓
Hi High (pH 8-9.5) -0.38 2.71 -13.68 2 6 0 70 296.415 3 ↓
Mid Mid (pH 6-8) -0.38 4.48 -45.08 3 6 1 71 297.423 3 ↓

Analogs

46065102
46065102

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

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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) -0.56 1.3 -102.2 6 6 2 95 270.377 3 ↓
Hi High (pH 8-9.5) -0.56 -0.64 -10.12 4 6 0 93 268.361 3 ↓
Mid Mid (pH 6-8) -0.56 1.05 -40.78 5 6 1 94 269.369 3 ↓

Analogs

35738344
35738344
20217858
20217858
36255968
36255968
36255970
36255970
35776049
35776049

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Popular Name: (1-aminocyclopentyl)-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]methanone (1-aminocyclopentyl)-[4-(2-metho…

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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) 0.69 4.36 -100.35 4 5 2 62 271.405 4 ↓
Mid Mid (pH 6-8) 0.69 4.21 -37.34 3 5 1 60 270.397 4 ↓

Analogs

13323085
13323085
20282393
20282393

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Popular Name: 1-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]ethanone 1-[4-(cyclopentanecarbonyl)-1,4-…

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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) 0.97 6.11 -10.28 0 4 0 41 238.331 1 ↓

Parameters Provided:

ring.id = 186270
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 = 186270 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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