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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-[(1S,2R,4R)-2,4-dimethylcyclohexyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxami (2S,3aS,7aS)-N-[(1S,2R,4R)-2,4-d…

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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) 4.14 7.9 -36.89 3 3 1 46 279.448 2 ↓
Hi High (pH 8-9.5) 4.14 6.62 -7.43 2 3 0 41 278.44 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3aS,7aS)-N-[(1S,2R,4S)-2,4-dimethylcyclohexyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxami (2S,3aS,7aS)-N-[(1S,2R,4S)-2,4-d…

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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) 4.14 7.1 -36.85 3 3 1 46 279.448 2 ↓
Hi High (pH 8-9.5) 4.14 5.83 -8 2 3 0 41 278.44 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3aS,7aS)-N-[(1R,2R,4R)-2,4-dimethylcyclohexyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxami (2S,3aS,7aS)-N-[(1R,2R,4R)-2,4-d…

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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) 4.14 7.49 -37 3 3 1 46 279.448 2 ↓
Hi High (pH 8-9.5) 4.14 6.24 -8.07 2 3 0 41 278.44 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3aS,7aS)-N-[(1R,2R,4S)-2,4-dimethylcyclohexyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxami (2S,3aS,7aS)-N-[(1R,2R,4S)-2,4-d…

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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) 4.14 7.26 -37.12 3 3 1 46 279.448 2 ↓
Hi High (pH 8-9.5) 4.14 6 -8.08 2 3 0 41 278.44 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3aS,7aS)-N-(4-propylcyclohexyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (2S,3aS,7aS)-N-(4-propylcyclohex…

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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) 4.91 8.46 -37.01 3 3 1 46 293.475 4 ↓
Hi High (pH 8-9.5) 4.91 7.2 -7.59 2 3 0 41 292.467 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 4.91 7.91 -33.72 3 3 1 46 293.475 4 ↓
Hi High (pH 8-9.5) 4.91 6.64 -5.89 2 3 0 41 292.467 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 4.91 7.84 -36.22 3 3 1 46 293.475 4 ↓
Hi High (pH 8-9.5) 4.91 6.56 -8.51 2 3 0 41 292.467 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 4.91 7.8 -35.52 3 3 1 46 293.475 4 ↓
Hi High (pH 8-9.5) 4.91 6.47 -6.41 2 3 0 41 292.467 4 ↓

Parameters Provided:

ring.id = 524891
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 = 524891 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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