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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: (2R)-1-[[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]-3-(cyclohexoxy)propan-2-ol (2R)-1-[[(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) 2.39 4.11 -39.57 3 4 1 49 297.463 6 ↓
Hi High (pH 8-9.5) 2.39 2.85 -4.28 2 4 0 45 296.455 6 ↓
Mid Mid (pH 6-8) 2.39 5.1 -31.51 3 4 1 46 297.463 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]-3-(cyclohexoxy)propan-2-ol (2S)-1-[[(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) 2.39 4.14 -39.82 3 4 1 49 297.463 6 ↓
Hi High (pH 8-9.5) 2.39 2.83 -4.23 2 4 0 45 296.455 6 ↓
Mid Mid (pH 6-8) 2.39 5.08 -31.49 3 4 1 46 297.463 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]-3-(cyclohexoxy)propan-2-ol (2R)-1-[[(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) 2.39 3.81 -41.63 3 4 1 49 297.463 6 ↓
Hi High (pH 8-9.5) 2.39 2.66 -3.85 2 4 0 45 296.455 6 ↓
Mid Mid (pH 6-8) 2.39 4.92 -33.25 3 4 1 46 297.463 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]-3-(cyclohexoxy)propan-2-ol (2S)-1-[[(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) 2.39 3.85 -41.43 3 4 1 49 297.463 6 ↓
Hi High (pH 8-9.5) 2.39 2.65 -3.86 2 4 0 45 296.455 6 ↓
Mid Mid (pH 6-8) 2.39 4.91 -33.19 3 4 1 46 297.463 6 ↓

Parameters Provided:

ring.id = 588654
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 = 588654 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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