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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(4aR,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-1-piperazin-1-yl-propan-1-one 3-[(4aR,8aR)-2,3,4a,5,6,7,8,8a-o…

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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) 0.49 2.95 -50.62 2 5 1 49 282.408 3 ↓
Mid Mid (pH 6-8) 0.49 1.65 -8.48 1 5 0 45 281.4 3 ↓
Mid Mid (pH 6-8) 0.49 5.16 -100.88 3 5 2 51 283.416 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(4aR,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-1-piperazin-1-yl-propan-1-one 3-[(4aR,8aS)-2,3,4a,5,6,7,8,8a-o…

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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) 0.49 2.87 -49.71 2 5 1 49 282.408 3 ↓
Mid Mid (pH 6-8) 0.49 1.59 -7.98 1 5 0 45 281.4 3 ↓
Mid Mid (pH 6-8) 0.49 5.04 -101.92 3 5 2 51 283.416 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(4aS,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-1-piperazin-1-yl-propan-1-one 3-[(4aS,8aR)-2,3,4a,5,6,7,8,8a-o…

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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) 0.49 2.88 -49.91 2 5 1 49 282.408 3 ↓
Mid Mid (pH 6-8) 0.49 1.58 -7.94 1 5 0 45 281.4 3 ↓
Mid Mid (pH 6-8) 0.49 5.05 -101.82 3 5 2 51 283.416 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-1-piperazin-1-yl-propan-1-one 3-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-o…

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Activity (Go SEA)

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) 0.49 2.94 -50.54 2 5 1 49 282.408 3 ↓
Mid Mid (pH 6-8) 0.49 5.15 -100.87 3 5 2 51 283.416 3 ↓
Mid Mid (pH 6-8) 0.49 1.66 -8.47 1 5 0 45 281.4 3 ↓

Parameters Provided:

ring.id = 39049
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 = 39049 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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