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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-[[(3R,8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methyl]-2-(4-chlorophenoxy)ace N-[[(3R,8aR)-3,4,6,7,8,8a-hexahy…

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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) 2.03 4.8 -11.15 1 5 0 51 324.808 5 ↓
Mid Mid (pH 6-8) 2.03 6.7 -41.75 2 5 1 52 325.816 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3S,8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methyl]-2-(4-chlorophenoxy)ace N-[[(3S,8aR)-3,4,6,7,8,8a-hexahy…

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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) 2.03 4.66 -10.76 1 5 0 51 324.808 5 ↓
Mid Mid (pH 6-8) 2.03 6.82 -44.8 2 5 1 52 325.816 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3R,8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methyl]-2-(2,6-dimethylphenoxy N-[[(3R,8aR)-3,4,6,7,8,8a-hexahy…

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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) 2.15 5.65 -10.55 1 5 0 51 318.417 5 ↓
Mid Mid (pH 6-8) 2.15 7.55 -39.93 2 5 1 52 319.425 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3S,8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methyl]-2-(2,6-dimethylphenoxy N-[[(3S,8aR)-3,4,6,7,8,8a-hexahy…

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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) 2.15 5.51 -10.12 1 5 0 51 318.417 5 ↓
Mid Mid (pH 6-8) 2.15 7.67 -42.89 2 5 1 52 319.425 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3R,8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methyl]-2-(4-cyano-2-methoxy-p N-[[(3R,8aR)-3,4,6,7,8,8a-hexahy…

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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) 0.70 4.44 -16.92 1 7 0 84 345.399 6 ↓
Mid Mid (pH 6-8) 0.70 6.34 -47.52 2 7 1 85 346.407 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3S,8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methyl]-2-(4-cyano-2-methoxy-p N-[[(3S,8aR)-3,4,6,7,8,8a-hexahy…

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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) 0.70 4.3 -16.5 1 7 0 84 345.399 6 ↓
Mid Mid (pH 6-8) 0.70 6.45 -50.77 2 7 1 85 346.407 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3R,8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methyl]-2-(4-methylphenoxy)ace N-[[(3R,8aR)-3,4,6,7,8,8a-hexahy…

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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) 1.80 4.95 -11.71 1 5 0 51 304.39 5 ↓
Mid Mid (pH 6-8) 1.80 6.86 -41.28 2 5 1 52 305.398 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3S,8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methyl]-2-(4-methylphenoxy)ace N-[[(3S,8aR)-3,4,6,7,8,8a-hexahy…

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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) 1.80 4.82 -11.25 1 5 0 51 304.39 5 ↓
Mid Mid (pH 6-8) 1.80 6.97 -44.51 2 5 1 52 305.398 5 ↓

Parameters Provided:

ring.id = 182818
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 = 182818 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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