UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-(imidazol-1-ylmethyl)-5-methyl-1,2,4-oxadiazole 3-(imidazol-1-ylmethyl)-5-methyl…

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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) -0.33 3.65 -34.58 1 5 1 58 165.176 2 ↓
Mid Mid (pH 6-8) -0.33 3.14 -11.1 0 5 0 57 164.168 2 ↓

Analogs

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Popular Name: 3-[(2-isopropylimidazol-1-yl)methyl]-1,2,4-oxadiazole 3-[(2-isopropylimidazol-1-yl)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) 0.59 4.47 -31.12 1 5 1 58 193.23 3 ↓
Mid Mid (pH 6-8) 0.59 3.22 -11.19 0 5 0 57 192.222 3 ↓

Analogs

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

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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 4.68 -32.14 1 5 1 58 193.23 4 ↓
Mid Mid (pH 6-8) 0.61 3.77 -11.23 0 5 0 57 192.222 4 ↓

Parameters Provided:

ring.id = 368451
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 = 368451 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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