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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]-1-pyrrolidin-1-yl-propan-1-one (2S)-2-[[(1R,8aR)-1,2,3,5,6,7,8,…

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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) 1.23 5.88 -34.54 2 4 1 37 266.409 3 ↓
Hi High (pH 8-9.5) 1.23 3.64 -7.97 1 4 0 36 265.401 3 ↓
Hi High (pH 8-9.5) 1.23 4.81 -34.14 2 4 1 40 266.409 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]-1-pyrrolidin-1-yl-propan-1-one (2R)-2-[[(1R,8aR)-1,2,3,5,6,7,8,…

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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) 1.23 6.1 -35.09 2 4 1 37 266.409 3 ↓
Hi High (pH 8-9.5) 1.23 3.85 -8.96 1 4 0 36 265.401 3 ↓
Hi High (pH 8-9.5) 1.23 4.92 -36.09 2 4 1 40 266.409 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]-1-pyrrolidin-1-yl-propan-1-one (2S)-2-[[(1S,8aR)-1,2,3,5,6,7,8,…

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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) 1.23 5.83 -36.83 2 4 1 37 266.409 3 ↓
Hi High (pH 8-9.5) 1.23 3.58 -7.15 1 4 0 36 265.401 3 ↓
Hi High (pH 8-9.5) 1.23 4.59 -37.29 2 4 1 40 266.409 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]-1-pyrrolidin-1-yl-propan-1-one (2R)-2-[[(1S,8aR)-1,2,3,5,6,7,8,…

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) 1.23 5.78 -38.06 2 4 1 37 266.409 3 ↓
Hi High (pH 8-9.5) 1.23 3.53 -7.93 1 4 0 36 265.401 3 ↓
Hi High (pH 8-9.5) 1.23 4.54 -38.33 2 4 1 40 266.409 3 ↓

Parameters Provided:

ring.id = 588716
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 = 588716 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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