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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N5-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-methyl-1,3-benzothiazole-5,6-diamine N5-[(1R,8aR)-1,2,3,5,6,7,8,8a-oc…

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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) 3.04 6.2 -40.69 4 4 1 55 303.455 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N5-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-methyl-1,3-benzothiazole-5,6-diamine N5-[(1S,8aR)-1,2,3,5,6,7,8,8a-oc…

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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) 3.04 6 -39.79 4 4 1 55 303.455 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N5-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-1,3-benzothiazole-4,5-diamine N5-[(1R,8aR)-1,2,3,5,6,7,8,8a-oc…

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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) 3.33 5.53 -40.56 4 4 1 55 289.428 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N5-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-1,3-benzothiazole-4,5-diamine N5-[(1S,8aR)-1,2,3,5,6,7,8,8a-oc…

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) 3.33 5.33 -41.03 4 4 1 55 289.428 2 ↓

Parameters Provided:

ring.id = 588543
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 = 588543 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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