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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-(cyclopentoxy)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) 1.88 3.47 -39.71 3 4 1 49 283.436 6 ↓
Hi High (pH 8-9.5) 1.88 2.54 -3.93 2 4 0 45 282.428 6 ↓
Mid Mid (pH 6-8) 1.88 4.75 -32.8 3 4 1 46 283.436 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-(cyclopentoxy)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) 1.88 3.54 -39.73 3 4 1 49 283.436 6 ↓
Hi High (pH 8-9.5) 1.88 2.66 -3.86 2 4 0 45 282.428 6 ↓
Mid Mid (pH 6-8) 1.88 4.89 -32.61 3 4 1 46 283.436 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-(cyclopentoxy)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) 1.88 3.22 -41.58 3 4 1 49 283.436 6 ↓
Hi High (pH 8-9.5) 1.88 2.01 -4.11 2 4 0 45 282.428 6 ↓
Mid Mid (pH 6-8) 1.88 4.26 -32.98 3 4 1 46 283.436 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-(cyclopentoxy)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) 1.88 3.25 -41.41 3 4 1 49 283.436 6 ↓
Hi High (pH 8-9.5) 1.88 2.12 -4.03 2 4 0 45 282.428 6 ↓
Mid Mid (pH 6-8) 1.88 4.38 -32.87 3 4 1 46 283.436 6 ↓

Parameters Provided:

ring.id = 588655
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 = 588655 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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