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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: (1R)-2-[[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]-1-(2-thienyl)ethanol (1R)-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) 1.85 3.29 -38.75 3 3 1 40 267.418 4 ↓
Hi High (pH 8-9.5) 1.85 2.07 -3.02 2 3 0 35 266.41 4 ↓
Mid Mid (pH 6-8) 1.85 4.32 -31.09 3 3 1 37 267.418 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2-[[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]-1-(2-thienyl)ethanol (1S)-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) 1.85 3.35 -39.37 3 3 1 40 267.418 4 ↓
Hi High (pH 8-9.5) 1.85 2.04 -3.35 2 3 0 35 266.41 4 ↓
Mid Mid (pH 6-8) 1.85 4.29 -31.26 3 3 1 37 267.418 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-[[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]-1-(2-thienyl)ethanol (1R)-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) 1.85 3.01 -41.52 3 3 1 40 267.418 4 ↓
Hi High (pH 8-9.5) 1.85 1.88 -2.76 2 3 0 35 266.41 4 ↓
Mid Mid (pH 6-8) 1.85 4.14 -32.14 3 3 1 37 267.418 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2-[[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]-1-(2-thienyl)ethanol (1S)-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) 1.85 3.06 -41.33 3 3 1 40 267.418 4 ↓
Hi High (pH 8-9.5) 1.85 1.86 -3.06 2 3 0 35 266.41 4 ↓
Mid Mid (pH 6-8) 1.85 4.11 -32.61 3 3 1 37 267.418 4 ↓

Parameters Provided:

ring.id = 588665
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 = 588665 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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