UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

42436209
42436209

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Popular Name: (1R)-2-(1H-imidazol-4-yl)-1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethanamine (1R)-2-(1H-imidazol-4-yl)-1-[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) -2.28 0.26 -39.66 4 7 1 104 238.271 6 ↓
Hi High (pH 8-9.5) -2.28 -0.36 -9.1 3 7 0 103 237.263 6 ↓
Lo Low (pH 4.5-6) -2.28 0.07 -116.53 5 7 2 106 239.279 6 ↓

Analogs

42436208
42436208

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2-(1H-imidazol-4-yl)-1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethanamine (1S)-2-(1H-imidazol-4-yl)-1-[3-(…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) -2.28 -0.41 -45.26 4 7 1 104 238.271 6 ↓
Hi High (pH 8-9.5) -2.28 -0.73 -9.76 3 7 0 103 237.263 6 ↓
Lo Low (pH 4.5-6) -2.28 0.14 -116.97 5 7 2 106 239.279 6 ↓

Parameters Provided:

ring.id = 617681
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 = 617681 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=617681&filter.purchasability=annotated

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