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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: N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-5-chloro-thiophene-2-carboxamide N-[(1S,8aR)-1,2,3,5,6,7,8,8a-oct…

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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) 2.88 6.87 -37.95 2 3 1 34 285.82 2 ↓
Hi High (pH 8-9.5) 2.88 4.72 -5.38 1 3 0 32 284.812 2 ↓

Analogs

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Popular Name: N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-4-amino-5-methyl-thiophene-2-carboxamide N-[(1R,8aR)-1,2,3,5,6,7,8,8a-oct…

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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 5.26 -38.02 4 4 1 60 280.417 2 ↓
Lo Low (pH 4.5-6) 1.71 5.06 -88.18 5 4 2 61 281.425 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-4-amino-5-methyl-thiophene-2-carboxamide N-[(1S,8aR)-1,2,3,5,6,7,8,8a-oct…

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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 -37.31 4 4 1 60 280.417 2 ↓
Lo Low (pH 4.5-6) 1.71 4.77 -86.74 5 4 2 61 281.425 2 ↓

Analogs

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Popular Name: N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-amino-thiophene-2-carboxamide N-[(1R,8aR)-1,2,3,5,6,7,8,8a-oct…

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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) 1.49 4.59 -37.1 4 4 1 60 266.39 2 ↓
Lo Low (pH 4.5-6) 1.49 4.44 -83.41 5 4 2 61 267.398 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-amino-thiophene-2-carboxamide N-[(1S,8aR)-1,2,3,5,6,7,8,8a-oct…

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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) 1.49 4.3 -36.29 4 4 1 60 266.39 2 ↓
Lo Low (pH 4.5-6) 1.49 4.14 -82.32 5 4 2 61 267.398 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]carbamoyl]thiophene-2-carboxylic 5-[[(1R,8aR)-1,2,3,5,6,7,8,8a-oc…

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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 7.31 -65.55 2 5 0 74 294.376 3 ↓
Hi High (pH 8-9.5) 1.88 5.05 -43.03 1 5 -1 72 293.368 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]carbamoyl]thiophene-2-carboxylic 5-[[(1S,8aR)-1,2,3,5,6,7,8,8a-oc…

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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 7.01 -65.95 2 5 0 74 294.376 3 ↓
Hi High (pH 8-9.5) 1.88 4.87 -42.64 1 5 -1 72 293.368 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamid N-[(1R,8aR)-1,2,3,5,6,7,8,8a-oct…

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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 5.53 -40.98 3 4 1 54 305.423 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamid N-[(1S,8aR)-1,2,3,5,6,7,8,8a-oct…

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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 5.23 -40.41 3 4 1 54 305.423 2 ↓

Parameters Provided:

ring.id = 206523
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 = 206523 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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