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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,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]butyl]cyclopropanamine N-[4-[(4aR,7aR)-3,4a,5,6,7,7a-he…

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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) 1.76 4.73 -37.5 2 3 1 29 239.383 6 ↓
Mid Mid (pH 6-8) 1.76 6.95 -94.09 3 3 2 30 240.391 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.76 4.89 -37.17 2 3 1 29 239.383 6 ↓
Mid Mid (pH 6-8) 1.76 6.93 -95.42 3 3 2 30 240.391 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.76 4.88 -37.13 2 3 1 29 239.383 6 ↓
Mid Mid (pH 6-8) 1.76 6.95 -95.47 3 3 2 30 240.391 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.76 4.7 -37.48 2 3 1 29 239.383 6 ↓
Mid Mid (pH 6-8) 1.76 6.96 -94.09 3 3 2 30 240.391 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4S)-4-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]pentyl]cyclopropanamin N-[(4S)-4-[(4aS,7aS)-3,4a,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) 2.09 5.38 -37.21 2 3 1 29 253.41 6 ↓
Mid Mid (pH 6-8) 2.09 7.24 -98.2 3 3 2 30 254.418 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4R)-4-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]pentyl]cyclopropanamin N-[(4R)-4-[(4aS,7aS)-3,4a,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) 2.09 5.35 -38.19 2 3 1 29 253.41 6 ↓
Mid Mid (pH 6-8) 2.09 7.01 -98.88 3 3 2 30 254.418 6 ↓

Parameters Provided:

ring.id = 253383
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 = 253383 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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