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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: N-[2-[(4aR,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]ethyl]tetrahydropyran-4-amine N-[2-[(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) 1.74 3.16 -43.4 2 4 1 38 269.409 4 ↓
Hi High (pH 8-9.5) 1.74 2 -3.08 1 4 0 34 268.401 4 ↓
Lo Low (pH 4.5-6) 1.74 5.36 -123.12 3 4 2 40 270.417 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(4aR,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]ethyl]tetrahydropyran-4-amine N-[2-[(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) 1.74 3.09 -42.96 2 4 1 38 269.409 4 ↓
Hi High (pH 8-9.5) 1.74 1.92 -3.16 1 4 0 34 268.401 4 ↓
Lo Low (pH 4.5-6) 1.74 5.25 -124.5 3 4 2 40 270.417 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(4aS,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]ethyl]tetrahydropyran-4-amine N-[2-[(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) 1.74 3.08 -42.92 2 4 1 38 269.409 4 ↓
Hi High (pH 8-9.5) 1.74 1.91 -3.05 1 4 0 34 268.401 4 ↓
Lo Low (pH 4.5-6) 1.74 5.24 -124.4 3 4 2 40 270.417 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.74 3.16 -43.4 2 4 1 38 269.409 4 ↓
Hi High (pH 8-9.5) 1.74 1.97 -3.67 1 4 0 34 268.401 4 ↓
Lo Low (pH 4.5-6) 1.74 5.36 -123.13 3 4 2 40 270.417 4 ↓

Parameters Provided:

ring.id = 268633
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 = 268633 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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