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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: (1S,2R)-2-[[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]cyclopentanecarbonitrile (1S,2R)-2-[[(1S,8aS)-1,2,3,5,6,7…

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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) 2.19 6.96 -31.69 2 3 1 40 234.367 2 ↓
Hi High (pH 8-9.5) 2.19 4.71 -6.03 1 3 0 39 233.359 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]cyclopentanecarbonitrile (1S,2R)-2-[[(1R,8aS)-1,2,3,5,6,7…

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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) 2.19 6.92 -33.69 2 3 1 40 234.367 2 ↓
Hi High (pH 8-9.5) 2.19 4.66 -5.75 1 3 0 39 233.359 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]cyclopentanol (1S,2R)-2-[[(1S,8aS)-1,2,3,5,6,7…

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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) 1.39 2.46 -30.85 3 3 1 40 225.356 2 ↓
Mid Mid (pH 6-8) 1.39 3.69 -28.11 3 3 1 37 225.356 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]cyclopentanol (1S,2R)-2-[[(1R,8aS)-1,2,3,5,6,7…

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) 1.39 2.38 -32.13 3 3 1 40 225.356 2 ↓
Mid Mid (pH 6-8) 1.39 3.65 -29.55 3 3 1 37 225.356 2 ↓

Parameters Provided:

ring.id = 156233
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 = 156233 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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