UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-{[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl}-1,4-diazepane 1-{[3-(1-ethoxyethyl)-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) 0.10 1.38 -43.41 2 6 1 65 255.342 5 ↓
Lo Low (pH 4.5-6) 0.10 1.06 -46.87 2 6 1 68 255.342 5 ↓

Analogs

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Popular Name: 1-{[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl}-1,4-diazepane 1-{[3-(1-ethoxyethyl)-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) 0.10 1.38 -43.19 2 6 1 65 255.342 5 ↓
Lo Low (pH 4.5-6) 0.10 1.07 -46.72 2 6 1 68 255.342 5 ↓

Analogs

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Popular Name: 1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-4-methylsulfonyl-1,4-diazepane 1-[(3-tert-butyl-1,2,4-oxadiazol…

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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) 1.08 2.68 -46.74 1 7 1 81 317.435 4 ↓
Mid Mid (pH 6-8) 1.08 0.74 -16.78 0 7 0 80 316.427 4 ↓

Analogs

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Popular Name: 3-ethyl-5-[(4-methyl-1,4-diazepan-1-yl)methyl]-1,2,4-oxadiazole 3-ethyl-5-[(4-methyl-1,4-diazepa…

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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 3.39 -39.94 1 5 1 47 225.316 3 ↓

Analogs

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Popular Name: 3-methyl-5-[(4-methyl-1,4-diazepan-1-yl)methyl]-1,2,4-oxadiazole 3-methyl-5-[(4-methyl-1,4-diazep…

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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) -0.02 2.42 -38.3 1 5 1 47 211.289 2 ↓

Analogs

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Popular Name: 4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1,4-diazepane-1-carboxamide 4-[(3-ethyl-1,2,4-oxadiazol-5-yl…

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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) -0.17 1.93 -49.12 3 7 1 90 254.314 3 ↓

Parameters Provided:

ring.id = 75942
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 = 75942 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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