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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

43454991
43454991
43454992
43454992
43454994
43454994
43454996
43454996

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,8aR)-N-[(1S)-1-cyclohexylethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (1R,8aR)-N-[(1S)-1-cyclohexyleth…

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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) 3.76 7.23 -33.78 2 2 1 20 251.438 3 ↓
Lo Low (pH 4.5-6) 3.76 9.51 -107.55 3 2 2 21 252.446 3 ↓

Analogs

43454991
43454991
43454992
43454992
43454994
43454994
43454996
43454996

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,8aR)-N-[(1R)-1-cyclohexylethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (1R,8aR)-N-[(1R)-1-cyclohexyleth…

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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) 3.76 7.34 -33.95 2 2 1 20 251.438 3 ↓
Lo Low (pH 4.5-6) 3.76 9.59 -107.28 3 2 2 21 252.446 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,8aR)-N-[(1S)-1-cyclohexylethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (1S,8aR)-N-[(1S)-1-cyclohexyleth…

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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) 3.76 6.98 -36.88 2 2 1 20 251.438 3 ↓
Lo Low (pH 4.5-6) 3.76 9.24 -106.91 3 2 2 21 252.446 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,8aR)-N-[(1R)-1-cyclohexylethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (1S,8aR)-N-[(1R)-1-cyclohexyleth…

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) 3.76 6.91 -36.23 2 2 1 20 251.438 3 ↓
Lo Low (pH 4.5-6) 3.76 9.15 -105.88 3 2 2 21 252.446 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]methyl]cyclohexanol 1-[[[(1R,8aR)-1,2,3,5,6,7,8,8a-o…

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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) 2.49 4.17 -33.37 3 3 1 40 253.41 3 ↓
Mid Mid (pH 6-8) 2.49 5.39 -32 3 3 1 37 253.41 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]methyl]cyclohexanol 1-[[[(1S,8aR)-1,2,3,5,6,7,8,8a-o…

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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) 2.49 3.87 -36.02 3 3 1 40 253.41 3 ↓
Mid Mid (pH 6-8) 2.49 5.22 -32.44 3 3 1 37 253.41 3 ↓

Parameters Provided:

ring.id = 557747
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 = 557747 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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