UCSF
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Analogs

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Popular Name: 2-(diethylamino)-N-(1,3,4-thiadiazol-2-yl)thieno[2,3-d]thiazole-5-carboxamide 2-(diethylamino)-N-(1,3,4-thiadi…

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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) 2.96 6.62 -16.47 1 6 0 71 339.471 5 ↓
Lo Low (pH 4.5-6) 2.96 7.02 -38.64 2 6 1 72 340.479 5 ↓

Analogs

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Popular Name: 2-(dimethylamino)-N-(1,3,4-thiadiazol-2-yl)thieno[2,3-d]thiazole-5-carboxamide 2-(dimethylamino)-N-(1,3,4-thiad…

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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) 2.20 4.71 -16.9 1 6 0 71 311.417 3 ↓
Mid Mid (pH 6-8) 2.27 2.83 -51.59 0 6 -1 77 310.409 3 ↓
Lo Low (pH 4.5-6) 2.20 5.12 -40.22 2 6 1 72 312.425 3 ↓

Analogs

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Popular Name: 2-(dimethylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)thieno[2,3-d]thiazole-5-carboxamide 2-(dimethylamino)-N-(5-methyl-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) 1.92 5.5 -16.75 1 6 0 71 325.444 3 ↓
Mid Mid (pH 6-8) 1.99 3.62 -53.7 0 6 -1 77 324.436 3 ↓
Lo Low (pH 4.5-6) 1.92 5.86 -40.13 2 6 1 72 326.452 3 ↓

Parameters Provided:

ring.id = 132507
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 = 132507 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=132507&filter.purchasability=annotated

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