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

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[3-(3-isopropyl-1,2,4-oxadiazol-5-yl)propanoyl]-1,4-diazepan-1-yl]acetamide 2-[4-[3-(3-isopropyl-1,2,4-oxadi…

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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) -0.23 2.67 -45.18 3 8 1 107 324.405 6 ↓
Hi High (pH 8-9.5) -0.23 1.04 -13.86 2 8 0 106 323.397 6 ↓

Analogs

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Popular Name: 2-[4-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanoyl]-1,4-diazepan-1-yl]acetamide 2-[4-[3-(3-tert-butyl-1,2,4-oxad…

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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) 0.44 3.22 -45.07 3 8 1 107 338.432 6 ↓
Hi High (pH 8-9.5) 0.44 1.6 -13.84 2 8 0 106 337.424 6 ↓

Analogs

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Popular Name: 1-(4-acetyl-1,4-diazepan-1-yl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-one 1-(4-acetyl-1,4-diazepan-1-yl)-3…

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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) 0.42 5.29 -12.95 0 7 0 80 308.382 5 ↓

Analogs

41788461
41788461

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Popular Name: 1-(4-acetyl-1,4-diazepan-1-yl)-3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propan-1-one 1-(4-acetyl-1,4-diazepan-1-yl)-3…

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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) 1.07 5.48 -13.27 0 7 0 80 322.409 4 ↓

Analogs

41788458
41788458

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-acetyl-1,4-diazepan-1-yl)-3-(3-isopropyl-1,2,4-oxadiazol-5-yl)propan-1-one 1-(4-acetyl-1,4-diazepan-1-yl)-3…

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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) 0.40 4.97 -13.19 0 7 0 80 308.382 4 ↓

Parameters Provided:

ring.id = 343875
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 = 343875 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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