UCSF
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Analogs

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Popular Name: 7-[(6-amino-3-pyridyl)sulfanylmethyl]-2-ethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one 7-[(6-amino-3-pyridyl)sulfanylme…

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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) 1.76 5.25 -16.77 2 6 0 86 319.415 4 ↓
Mid Mid (pH 6-8) 1.76 5.73 -43.96 3 6 1 87 320.423 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-[(6-amino-3-pyridyl)sulfanylmethyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one 7-[(6-amino-3-pyridyl)sulfanylme…

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) 1.47 3.7 -18.48 2 6 0 86 291.361 3 ↓
Mid Mid (pH 6-8) 1.47 4.16 -46.64 3 6 1 87 292.369 3 ↓

Parameters Provided:

ring.id = 545823
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 = 545823 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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