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

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]isoindolin-4-amine 2-[(1R,8aR)-1,2,3,5,6,7,8,8a-oct…

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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) 1.81 6.22 -32.55 3 3 1 34 258.389 1 ↓
Hi High (pH 8-9.5) 1.81 4.07 -2.62 2 3 0 32 257.381 1 ↓
Mid Mid (pH 6-8) 1.81 5.73 -34.03 3 3 1 34 258.389 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]isoindolin-4-amine 2-[(1S,8aR)-1,2,3,5,6,7,8,8a-oct…

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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) 1.81 5.69 -35.13 3 3 1 34 258.389 1 ↓
Hi High (pH 8-9.5) 1.81 3.22 -3.33 2 3 0 32 257.381 1 ↓
Mid Mid (pH 6-8) 1.81 5.36 -33.67 3 3 1 34 258.389 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]isoindolin-5-amine 2-[(1R,8aR)-1,2,3,5,6,7,8,8a-oct…

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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) 1.42 6.23 -32.44 3 3 1 34 258.389 1 ↓
Mid Mid (pH 6-8) 1.42 5.74 -32.97 3 3 1 34 258.389 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]isoindolin-5-amine 2-[(1S,8aR)-1,2,3,5,6,7,8,8a-oct…

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) 1.42 5.35 -35.46 3 3 1 34 258.389 1 ↓
Mid Mid (pH 6-8) 1.42 5.01 -31.14 3 3 1 34 258.389 1 ↓

Parameters Provided:

ring.id = 589759
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 = 589759 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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