UCSF
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Analogs

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Popular Name: N-cyclopropyl-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(2-pyridylmethyl)acetamide N-cyclopropyl-2-[(1,1-dioxo-1,2-…

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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) -0.02 4.48 -20.75 1 7 0 92 370.434 6 ↓
Lo Low (pH 4.5-6) -0.02 5.13 -48.14 2 7 1 93 371.442 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methyl-amino]-N-(2-pyridylmethyl)acetamide N-cyclopropyl-2-[(1,1-dioxo-1,2-…

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) 0.23 6.29 -32.06 0 7 0 83 384.461 6 ↓
Lo Low (pH 4.5-6) 0.23 6.82 -47.21 1 7 1 84 385.469 6 ↓

Parameters Provided:

ring.id = 38293
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 = 38293 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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