UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: [(3S)-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,1-dioxo-thiolan-3-yl]methanamine [(3S)-3-(6,8-dihydro-5H-imidazo[…

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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) -1.84 -0.27 -121.6 4 6 2 84 272.374 2 ↓
Hi High (pH 8-9.5) -1.84 -1.54 -15.75 2 6 0 81 270.358 2 ↓
Hi High (pH 8-9.5) -1.84 -0.73 -66.52 3 6 1 83 271.366 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,1-dioxo-thiolan-3-yl]methanamine [(3R)-3-(6,8-dihydro-5H-imidazo[…

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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) -1.84 -0.25 -115.97 4 6 2 84 272.374 2 ↓
Hi High (pH 8-9.5) -1.84 -1.18 -19.15 2 6 0 81 270.358 2 ↓
Hi High (pH 8-9.5) -1.84 -0.71 -76.17 3 6 1 83 271.366 2 ↓

Parameters Provided:

ring.id = 321183
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 = 321183 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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