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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-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-6-methyl-pyridine-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) 1.06 6.44 -36.03 2 4 1 46 260.361 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-6-methyl-pyridine-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) 1.06 6.16 -35.72 2 4 1 46 260.361 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-hydroxy-pyridine-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) 1.12 4.38 -37.86 3 5 1 67 262.333 2 ↓
Mid Mid (pH 6-8) 1.12 5.86 -73.35 3 5 1 71 262.333 2 ↓
Mid Mid (pH 6-8) 1.12 5.38 -62.4 2 5 0 69 261.325 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-hydroxy-pyridine-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) 1.12 4.08 -37.62 3 5 1 67 262.333 2 ↓
Mid Mid (pH 6-8) 1.12 5.55 -70.65 3 5 1 71 262.333 2 ↓
Mid Mid (pH 6-8) 1.12 5.09 -61.78 2 5 0 69 261.325 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]carbamoyl]pyridine-2-carboxylic 6-[[(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) 0.65 6.4 -58.12 2 6 0 87 289.335 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]carbamoyl]pyridine-2-carboxylic 6-[[(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) 0.65 6.11 -60.44 2 6 0 87 289.335 3 ↓

Parameters Provided:

ring.id = 338816
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 = 338816 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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