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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,8aR)-N-(thiazol-5-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (1R,8aR)-N-(thiazol-5-ylmethyl)-…

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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) 1.71 4.96 -33.62 2 3 1 29 238.38 3 ↓
Hi High (pH 8-9.5) 1.71 2.7 -4.24 1 3 0 28 237.372 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,8aR)-N-(thiazol-5-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (1S,8aR)-N-(thiazol-5-ylmethyl)-…

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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) 1.71 4.78 -34.91 2 3 1 29 238.38 3 ↓
Hi High (pH 8-9.5) 1.71 2.52 -3.9 1 3 0 28 237.372 3 ↓

Analogs

44686261
44686261
44686263
44686263

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]methyl]-N,N-diethyl-thiazol-2-amine 5-[[[(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) 2.69 8.59 -33.36 2 4 1 33 309.503 6 ↓
Lo Low (pH 4.5-6) 2.69 9.04 -71.83 3 4 2 34 310.511 6 ↓

Analogs

44686261
44686261
44686263
44686263

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]methyl]-N,N-diethyl-thiazol-2-amine 5-[[[(1S,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) 2.69 8.41 -34.69 2 4 1 33 309.503 6 ↓
Lo Low (pH 4.5-6) 2.69 8.86 -72.3 3 4 2 34 310.511 6 ↓

Analogs

44687300
44687300
44687302
44687302
44687305
44687305
44687307
44687307

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,8aR)-N-[(1R)-1-(4-methylthiazol-5-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (1R,8aR)-N-[(1R)-1-(4-methylthia…

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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 6.11 -35.13 2 3 1 29 266.434 3 ↓
Lo Low (pH 4.5-6) 2.49 4.92 -38.45 2 3 1 33 266.434 3 ↓

Analogs

44687300
44687300
44687302
44687302
44687305
44687305
44687307
44687307

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,8aR)-N-[(1S)-1-(4-methylthiazol-5-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (1R,8aR)-N-[(1S)-1-(4-methylthia…

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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 5.95 -34.6 2 3 1 29 266.434 3 ↓
Lo Low (pH 4.5-6) 2.49 4.99 -36.91 2 3 1 33 266.434 3 ↓

Analogs

44687300
44687300
44687302
44687302
44687305
44687305
44687307
44687307

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,8aR)-N-[(1R)-1-(4-methylthiazol-5-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (1S,8aR)-N-[(1R)-1-(4-methylthia…

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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 5.81 -37.13 2 3 1 29 266.434 3 ↓
Lo Low (pH 4.5-6) 2.49 4.72 -41 2 3 1 33 266.434 3 ↓

Analogs

44687300
44687300
44687302
44687302
44687305
44687305
44687307
44687307

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,8aR)-N-[(1S)-1-(4-methylthiazol-5-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (1S,8aR)-N-[(1S)-1-(4-methylthia…

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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 5.91 -35.37 2 3 1 29 266.434 3 ↓
Lo Low (pH 4.5-6) 2.49 4.68 -40.13 2 3 1 33 266.434 3 ↓

Parameters Provided:

ring.id = 153675
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 = 153675 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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