UCSF
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Popular Name: 3-(3-amino-1-phenyl-2,4-dihydrotriazolo[5,1-e][1,2,4]triazol-5-yl)benzoic 3-(3-amino-1-phenyl-2,4-dihydrot…

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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) 1.67 6.82 -80.2 4 8 0 109 322.328 3 ↓
Hi High (pH 8-9.5) 1.54 6.67 -64.7 3 8 -1 109 321.32 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-amino-1-phenyl-2,4-dihydrotriazolo[5,1-e][1,2,4]triazol-5-yl)benzoic 2-(3-amino-1-phenyl-2,4-dihydrot…

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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) 1.31 6.71 -50.12 4 8 0 109 322.328 3 ↓
Hi High (pH 8-9.5) 1.18 6.49 -53.01 3 8 -1 109 321.32 3 ↓

Parameters Provided:

ring.id = 158745
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 = 158745 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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