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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: (2S,3aS,7aS)-N-(6-methoxy-3-pyridyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (2S,3aS,7aS)-N-(6-methoxy-3-pyri…

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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) 3.02 2.79 -47.22 3 5 1 68 276.36 3 ↓
Hi High (pH 8-9.5) 3.02 1.67 -12.57 2 5 0 63 275.352 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3aS,7aS)-N-(6-methoxy-3-pyridyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (2R,3aS,7aS)-N-(6-methoxy-3-pyri…

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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) 3.02 2.71 -44.45 3 5 1 68 276.36 3 ↓
Hi High (pH 8-9.5) 3.02 1.49 -9.72 2 5 0 63 275.352 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3aR,7aS)-N-(6-methoxy-3-pyridyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (2S,3aR,7aS)-N-(6-methoxy-3-pyri…

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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) 3.02 2.63 -47.55 3 5 1 68 276.36 3 ↓
Hi High (pH 8-9.5) 3.02 1.42 -12.89 2 5 0 63 275.352 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3aR,7aS)-N-(6-methoxy-3-pyridyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (2R,3aR,7aS)-N-(6-methoxy-3-pyri…

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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) 3.02 2.6 -47.09 3 5 1 68 276.36 3 ↓
Hi High (pH 8-9.5) 3.02 1.31 -10.29 2 5 0 63 275.352 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[(2S,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl]amino]pyridine-3-carboxylic 5-[[(2S,3aS,7aS)-2,3,3a,4,5,6,7,…

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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) 2.17 4.98 -74.36 3 6 0 99 289.335 3 ↓
Hi High (pH 8-9.5) 2.17 3.75 -60.42 2 6 -1 94 288.327 3 ↓
Lo Low (pH 4.5-6) 2.17 5.44 -92.75 4 6 1 100 290.343 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[(2R,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl]amino]pyridine-3-carboxylic 5-[[(2R,3aS,7aS)-2,3,3a,4,5,6,7,…

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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) 2.17 4.88 -69.8 3 6 0 99 289.335 3 ↓
Hi High (pH 8-9.5) 2.17 3.62 -55.66 2 6 -1 94 288.327 3 ↓
Lo Low (pH 4.5-6) 2.17 5.34 -90.84 4 6 1 100 290.343 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[(2S,3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl]amino]pyridine-3-carboxylic 5-[[(2S,3aR,7aS)-2,3,3a,4,5,6,7,…

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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) 2.17 4.79 -72.28 3 6 0 99 289.335 3 ↓
Hi High (pH 8-9.5) 2.17 3.53 -59.83 2 6 -1 94 288.327 3 ↓
Lo Low (pH 4.5-6) 2.17 5.26 -92.02 4 6 1 100 290.343 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[(2R,3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl]amino]pyridine-3-carboxylic 5-[[(2R,3aR,7aS)-2,3,3a,4,5,6,7,…

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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) 2.17 4.77 -72.53 3 6 0 99 289.335 3 ↓
Hi High (pH 8-9.5) 2.17 3.45 -56.92 2 6 -1 94 288.327 3 ↓
Lo Low (pH 4.5-6) 2.17 5.23 -92.62 4 6 1 100 290.343 3 ↓

Parameters Provided:

ring.id = 47278
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 = 47278 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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