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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,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]ethyl]tetrahydropyran-4-ami N-[2-[(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) 1.23 2.44 -43.16 2 4 1 38 255.382 4 ↓
Hi High (pH 8-9.5) 1.23 1.25 -3.54 1 4 0 34 254.374 4 ↓
Lo Low (pH 4.5-6) 1.23 4.65 -122.23 3 4 2 40 256.39 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]ethyl]tetrahydropyran-4-ami N-[2-[(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) 1.23 2.6 -43.28 2 4 1 38 255.382 4 ↓
Hi High (pH 8-9.5) 1.23 1.45 -2.94 1 4 0 34 254.374 4 ↓
Lo Low (pH 4.5-6) 1.23 4.63 -124.04 3 4 2 40 256.39 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(4aR,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]ethyl]tetrahydropyran-4-ami N-[2-[(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) 1.23 2.59 -43.27 2 4 1 38 255.382 4 ↓
Hi High (pH 8-9.5) 1.23 1.42 -3.41 1 4 0 34 254.374 4 ↓
Lo Low (pH 4.5-6) 1.23 4.64 -124.03 3 4 2 40 256.39 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

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) 1.23 2.41 -43.2 2 4 1 38 255.382 4 ↓
Hi High (pH 8-9.5) 1.23 1.24 -3.8 1 4 0 34 254.374 4 ↓
Lo Low (pH 4.5-6) 1.23 4.68 -122.11 3 4 2 40 256.39 4 ↓

Parameters Provided:

ring.id = 268618
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 = 268618 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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