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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]-N-cyclohexyl-propanamide (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) 2.48 6.4 -33.08 3 4 1 46 294.463 4 ↓
Hi High (pH 8-9.5) 2.48 4.16 -6.88 2 4 0 44 293.455 4 ↓
Hi High (pH 8-9.5) 2.48 5.38 -34.92 3 4 1 49 294.463 4 ↓

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]-N-cyclohexyl-propanamide (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) 2.48 6.63 -33.49 3 4 1 46 294.463 4 ↓
Hi High (pH 8-9.5) 2.48 5.42 -36.72 3 4 1 49 294.463 4 ↓
Hi High (pH 8-9.5) 2.48 4.38 -8.56 2 4 0 44 293.455 4 ↓

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]-N-cyclohexyl-propanamide (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) 2.48 6.36 -34.71 3 4 1 46 294.463 4 ↓
Hi High (pH 8-9.5) 2.48 4.11 -6.29 2 4 0 44 293.455 4 ↓
Hi High (pH 8-9.5) 2.48 5.14 -37.77 3 4 1 49 294.463 4 ↓

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]-N-cyclohexyl-propanamide (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) 2.48 6.32 -36.71 3 4 1 46 294.463 4 ↓
Hi High (pH 8-9.5) 2.48 4.06 -7.52 2 4 0 44 293.455 4 ↓
Hi High (pH 8-9.5) 2.48 5.12 -38.76 3 4 1 49 294.463 4 ↓

Parameters Provided:

ring.id = 588701
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 = 588701 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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