UCSF
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Analogs

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Popular Name: 5-methyl-4-[(2-methylthiazol-4-yl)methyl]-1,2,4-triazole-3-thiol 5-methyl-4-[(2-methylthiazol-4-y…

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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) 0.01 5.68 -9.88 1 4 0 47 226.33 2 ↓
Mid Mid (pH 6-8) 0.74 5.79 -46.64 0 4 -1 44 225.322 2 ↓

Analogs

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Popular Name: 5-ethyl-4-[(2-methylthiazol-4-yl)methyl]-1,2,4-triazole-3-thiol 5-ethyl-4-[(2-methylthiazol-4-yl…

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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 6.45 -9.41 1 4 0 47 240.357 3 ↓
Mid Mid (pH 6-8) 1.31 6.4 -46.72 0 4 -1 44 239.349 3 ↓

Analogs

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Popular Name: 5-isopropyl-4-[(2-methylthiazol-4-yl)methyl]-1,2,4-triazole-3-thiol 5-isopropyl-4-[(2-methylthiazol-…

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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) 1.07 6.68 -16.45 1 4 0 47 254.384 3 ↓
Mid Mid (pH 6-8) 1.80 6.77 -55.71 0 4 -1 44 253.376 3 ↓

Parameters Provided:

ring.id = 580840
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 = 580840 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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