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

Analogs

42354672
42354672

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Popular Name: 2-[cyclopropylmethyl(ethyl)amino]-1-(1,4-diazepan-1-yl)ethanone 2-[cyclopropylmethyl(ethyl)amino…

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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) 0.51 6.94 -92.34 3 4 2 41 241.379 5 ↓
Hi High (pH 8-9.5) 0.51 4.92 -43.98 2 4 1 40 240.371 5 ↓
Hi High (pH 8-9.5) 0.51 5.61 -34.17 2 4 1 37 240.371 5 ↓

Analogs

49348767
49348767
58917669
58917669
36904446
36904446
19398727
19398727
37039682
37039682

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

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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 6.79 -102.76 3 6 2 62 298.431 6 ↓
Hi High (pH 8-9.5) -0.96 5.05 -49.86 2 6 1 60 297.423 6 ↓
Hi High (pH 8-9.5) -0.96 5.42 -43.43 2 6 1 57 297.423 6 ↓

Analogs

49348767
49348767
58917669
58917669
36904446
36904446
19398727
19398727
37039682
37039682

Draw Identity 99% 90% 80% 70%

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

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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) -1.14 3.4 -99.25 5 6 2 84 270.377 6 ↓
Hi High (pH 8-9.5) -1.14 1.78 -47.7 4 6 1 83 269.369 6 ↓

Analogs

47470168
47470168

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Popular Name: 2-(cyclopropylmethylamino)-1-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]ethanone 2-(cyclopropylmethylamino)-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) 0.12 6.42 -94.82 3 5 2 51 271.405 7 ↓
Hi High (pH 8-9.5) 0.12 5.05 -36.62 2 5 1 46 270.397 7 ↓

Parameters Provided:

ring.id = 325243
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 = 325243 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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