UCSF
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Analogs

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Popular Name: 2-chloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-4-sulfonamide 2-chloro-N-(4,5,6,7-tetrahydro-1…

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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) 3.65 4.48 -10.84 1 5 0 75 329.834 2 ↓
Mid Mid (pH 6-8) 2.73 3.94 -44.11 0 5 -1 74 328.826 3 ↓

Analogs

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Popular Name: 2-hydrazino-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-4-sulfonamide 2-hydrazino-N-(4,5,6,7-tetrahydr…

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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) 2.22 3.17 -35.23 5 7 1 114 326.427 3 ↓
Hi High (pH 8-9.5) 1.29 2.16 -49.04 3 7 -1 112 324.411 4 ↓
Mid Mid (pH 6-8) 1.29 2.63 -50.29 4 7 0 113 325.419 4 ↓

Parameters Provided:

ring.id = 587969
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 = 587969 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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