UCSF
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Analogs

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Popular Name: 3-(5-methyl-1H-1,2,4-triazol-3-yl)thiophen-2-amine 3-(5-methyl-1H-1,2,4-triazol-3-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) -0.12 3.03 -12.34 2 4 0 65 180.236 1 ↓
Mid Mid (pH 6-8) 0.79 2.51 -9.07 3 4 0 68 180.236 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(5-ethyl-1H-1,2,4-triazol-3-yl)thiophen-2-amine 3-(5-ethyl-1H-1,2,4-triazol-3-yl…

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) 0.45 3.67 -11.86 2 4 0 65 194.263 2 ↓
Mid Mid (pH 6-8) 1.36 3.15 -8.6 3 4 0 68 194.263 2 ↓

Parameters Provided:

ring.id = 21436
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 = 21436 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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