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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-(1-piperidyl)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) 1.73 6.62 -34.31 2 4 1 37 280.436 3 ↓
Hi High (pH 8-9.5) 1.73 4.38 -7.45 1 4 0 36 279.428 3 ↓
Hi High (pH 8-9.5) 1.73 5.55 -34.78 2 4 1 40 280.436 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-(1-piperidyl)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) 1.73 6.84 -34.65 2 4 1 37 280.436 3 ↓
Hi High (pH 8-9.5) 1.73 4.59 -8.59 1 4 0 36 279.428 3 ↓
Hi High (pH 8-9.5) 1.73 5.63 -36.67 2 4 1 40 280.436 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-(1-piperidyl)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) 1.73 6.59 -36.75 2 4 1 37 280.436 3 ↓
Hi High (pH 8-9.5) 1.73 4.34 -6.74 1 4 0 36 279.428 3 ↓
Hi High (pH 8-9.5) 1.73 5.33 -37.89 2 4 1 40 280.436 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-(1-piperidyl)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) 1.73 6.54 -37.76 2 4 1 37 280.436 3 ↓
Hi High (pH 8-9.5) 1.73 4.29 -7.51 1 4 0 36 279.428 3 ↓
Hi High (pH 8-9.5) 1.73 5.32 -38.68 2 4 1 40 280.436 3 ↓

Parameters Provided:

ring.id = 588700
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 = 588700 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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