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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-[4-[(4aR,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]butyl]cyclopropanamine N-[4-[(4aR,8aR)-2,3,4a,5,6,7,8,8…

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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) 2.27 5.44 -37.45 2 3 1 29 253.41 6 ↓
Mid Mid (pH 6-8) 2.27 7.64 -94.6 3 3 2 30 254.418 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[(4aR,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]butyl]cyclopropanamine N-[4-[(4aR,8aS)-2,3,4a,5,6,7,8,8…

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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) 2.27 5.37 -36.77 2 3 1 29 253.41 6 ↓
Mid Mid (pH 6-8) 2.27 7.54 -95.72 3 3 2 30 254.418 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[(4aS,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]butyl]cyclopropanamine N-[4-[(4aS,8aR)-2,3,4a,5,6,7,8,8…

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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) 2.27 5.37 -36.86 2 3 1 29 253.41 6 ↓
Mid Mid (pH 6-8) 2.27 7.54 -95.63 3 3 2 30 254.418 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]butyl]cyclopropanamine N-[4-[(4aS,8aS)-2,3,4a,5,6,7,8,8…

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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) 2.27 5.44 -37.53 2 3 1 29 253.41 6 ↓
Mid Mid (pH 6-8) 2.27 7.64 -94.61 3 3 2 30 254.418 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4S)-4-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]pentyl]cyclopropanamine N-[(4S)-4-[(4aS,8aS)-2,3,4a,5,6,…

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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) 2.60 6.09 -37.24 2 3 1 29 267.437 6 ↓
Mid Mid (pH 6-8) 2.60 7.95 -98.95 3 3 2 30 268.445 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4R)-4-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]pentyl]cyclopropanamine N-[(4R)-4-[(4aS,8aS)-2,3,4a,5,6,…

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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) 2.60 5.65 -38.15 2 3 1 29 267.437 6 ↓
Mid Mid (pH 6-8) 2.60 7.66 -94.76 3 3 2 30 268.445 6 ↓

Parameters Provided:

ring.id = 259700
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 = 259700 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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