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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: N-[[(3R,8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methyl]-4-cyano-benzamide 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) 1.14 4.1 -10.04 1 5 0 65 285.347 3 ↓
Mid Mid (pH 6-8) 1.14 6.01 -42.45 2 5 1 67 286.355 3 ↓

Analogs

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Popular Name: N-[[(3S,8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methyl]-4-cyano-benzamide 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) 1.14 3.97 -9.72 1 5 0 65 285.347 3 ↓
Mid Mid (pH 6-8) 1.14 6.12 -45.12 2 5 1 67 286.355 3 ↓

Analogs

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Popular Name: N-[[(3R,8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methyl]-4-bromo-benzamide 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) 2.19 4.33 -7.36 1 4 0 42 339.233 3 ↓
Mid Mid (pH 6-8) 2.19 6.24 -38.55 2 4 1 43 340.241 3 ↓

Analogs

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Popular Name: N-[[(3S,8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methyl]-4-bromo-benzamide 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) 2.19 4.2 -6.96 1 4 0 42 339.233 3 ↓
Mid Mid (pH 6-8) 2.19 6.35 -41.34 2 4 1 43 340.241 3 ↓

Analogs

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Popular Name: N-[[(3R,8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methyl]-4-chloro-benzamide 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) 2.06 4.23 -7.47 1 4 0 42 294.782 3 ↓
Mid Mid (pH 6-8) 2.06 6.13 -38.52 2 4 1 43 295.79 3 ↓

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]-4-chloro-benzamide 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) 2.06 4.09 -7.13 1 4 0 42 294.782 3 ↓
Mid Mid (pH 6-8) 2.06 6.25 -41.42 2 4 1 43 295.79 3 ↓

Analogs

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Popular Name: N-[[(3R,8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methyl]-3,5-dimethyl-benzamide 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) 2.21 5.04 -8.5 1 4 0 42 288.391 3 ↓
Mid Mid (pH 6-8) 2.21 6.95 -37.8 2 4 1 43 289.399 3 ↓

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]-3,5-dimethyl-benzamide 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) 2.21 4.91 -8.19 1 4 0 42 288.391 3 ↓
Mid Mid (pH 6-8) 2.21 7.06 -41.04 2 4 1 43 289.399 3 ↓

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]-4-[methyl(propyl)amino 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) 2.36 5.81 -9.28 1 5 0 45 331.46 6 ↓
Mid Mid (pH 6-8) 2.36 7.73 -37.89 2 5 1 46 332.468 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]-4-[methyl(propyl)amino 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) 2.36 5.69 -8.9 1 5 0 45 331.46 6 ↓
Mid Mid (pH 6-8) 2.36 7.84 -41.3 2 5 1 46 332.468 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]-4-isopentyloxy-benzami 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) 3.09 6.06 -8.24 1 5 0 51 346.471 7 ↓
Mid Mid (pH 6-8) 3.09 7.96 -38.28 2 5 1 52 347.479 7 ↓

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]-4-isopentyloxy-benzami 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) 3.09 5.93 -7.88 1 5 0 51 346.471 7 ↓
Mid Mid (pH 6-8) 3.09 8.07 -41.27 2 5 1 52 347.479 7 ↓

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]-4-isobutyl-benzamide 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) 2.68 6.4 -8.08 1 4 0 42 316.445 5 ↓
Mid Mid (pH 6-8) 2.68 8.3 -37.46 2 4 1 43 317.453 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]-4-isobutyl-benzamide 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) 2.68 6.26 -7.68 1 4 0 42 316.445 5 ↓
Mid Mid (pH 6-8) 2.68 8.41 -40.75 2 4 1 43 317.453 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]-3-propoxy-benzamide 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) 2.29 4.74 -10.78 1 5 0 51 318.417 6 ↓
Mid Mid (pH 6-8) 2.29 6.64 -40.31 2 5 1 52 319.425 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]-3-propoxy-benzamide 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) 2.29 4.6 -10.32 1 5 0 51 318.417 6 ↓
Mid Mid (pH 6-8) 2.29 6.75 -43.74 2 5 1 52 319.425 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]-3,5-bis(trifluoromethy 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) 3.10 5.74 -6.91 1 4 0 42 396.331 5 ↓
Mid Mid (pH 6-8) 3.10 7.64 -39.54 2 4 1 43 397.339 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]-3,5-bis(trifluoromethy 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) 3.10 5.6 -6.62 1 4 0 42 396.331 5 ↓
Mid Mid (pH 6-8) 3.10 7.76 -41.75 2 4 1 43 397.339 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]-4-butyl-benzamide 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) 3.25 6.71 -8.17 1 4 0 42 316.445 6 ↓
Mid Mid (pH 6-8) 3.25 8.62 -37.58 2 4 1 43 317.453 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]-4-butyl-benzamide 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) 3.25 6.58 -7.78 1 4 0 42 316.445 6 ↓
Mid Mid (pH 6-8) 3.25 8.73 -40.83 2 4 1 43 317.453 6 ↓

Parameters Provided:

ring.id = 182850
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 = 182850 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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