UCSF
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Analogs

45629078
45629078
45629079
45629079

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Popular Name: N-[4-[(2-cyclohexen-1-ylethylamino)methyl]thiazol-2-yl]-N-ethyl-acetamide N-[4-[(2-cyclohexen-1-ylethylami…

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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) 3.01 9.06 -42.09 2 4 1 50 308.471 7 ↓
Hi High (pH 8-9.5) 3.01 7.7 -15.39 1 4 0 45 307.463 7 ↓

Analogs

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Popular Name: 2-cyclohexen-1-yl-N-[(2-ethylthiazol-4-yl)methyl]ethanamine 2-cyclohexen-1-yl-N-[(2-ethylthi…

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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) 3.33 7.77 -38.1 2 2 1 29 251.419 6 ↓
Hi High (pH 8-9.5) 3.33 6.42 -4.67 1 2 0 25 250.411 6 ↓

Parameters Provided:

ring.id = 15230
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 = 15230 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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