UCSF
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Analogs

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Popular Name: 3-[1-(azocan-1-ylmethyl)-4-methyl-5-thioxo-1,2,4-triazol-3-yl]propanamide 3-[1-(azocan-1-ylmethyl)-4-methy…

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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) 0.74 7.88 -40.98 3 6 1 70 312.463 5 ↓
Hi High (pH 8-9.5) 0.74 6.58 -14.07 2 6 0 69 311.455 5 ↓

Analogs

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Popular Name: 2-(azocan-1-ylmethyl)-5-propyl-4H-1,2,4-triazole-3-thione 2-(azocan-1-ylmethyl)-5-propyl-4…

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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) 2.54 10.38 -36.52 2 4 1 38 269.438 4 ↓
Hi High (pH 8-9.5) 2.54 8.97 -10.39 1 4 0 37 268.43 4 ↓

Parameters Provided:

ring.id = 164501
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 = 164501 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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