UCSF
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Analogs

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Popular Name: N-phenyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-amine 5,5-dioxide N-phenyl-3a,4,6,6a-tetrahydrothi…

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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) 1.33 2.45 -17.44 1 4 0 59 268.363 1 ↓
Mid Mid (pH 6-8) 1.33 3.03 -43.06 2 4 1 60 269.371 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-phenyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-amine 5,5-dioxide N-phenyl-3a,4,6,6a-tetrahydrothi…

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) 1.33 2.67 -14.72 1 4 0 59 268.363 1 ↓
Mid Mid (pH 6-8) 1.33 2.71 -40.43 2 4 1 60 269.371 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-phenyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-amine 5,5-dioxide N-phenyl-3a,4,6,6a-tetrahydrothi…

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) 1.33 2.73 -14.53 1 4 0 59 268.363 1 ↓
Mid Mid (pH 6-8) 1.33 2.73 -40.18 2 4 1 60 269.371 2 ↓

Parameters Provided:

ring.id = 502977
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 = 502977 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=502977&filter.purchasability=annotated

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