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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-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]ethyl]tetrahydropyran-4-amine N-[2-[(4aS,8aR)-3,4,4a,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) 2.67 7.57 -120.21 3 3 2 30 268.445 4 ↓
Mid Mid (pH 6-8) 2.67 5.43 -40.34 2 3 1 29 267.437 4 ↓
Mid Mid (pH 6-8) 2.67 6.4 -33.64 2 3 1 26 267.437 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]ethyl]tetrahydropyran-4-amine N-[2-[(4aS,8aS)-3,4,4a,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) 2.67 7.7 -119.03 3 3 2 30 268.445 4 ↓
Mid Mid (pH 6-8) 2.67 6.28 -41.19 2 3 1 29 267.437 4 ↓
Mid Mid (pH 6-8) 2.67 6.52 -32.18 2 3 1 26 267.437 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]ethyl]tetrahydropyran-4-amine N-[2-[(4aR,8aR)-3,4,4a,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) 2.67 7.7 -119.01 3 3 2 30 268.445 4 ↓
Mid Mid (pH 6-8) 2.67 6.54 -32.36 2 3 1 26 267.437 4 ↓
Mid Mid (pH 6-8) 2.67 6.28 -41.19 2 3 1 29 267.437 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]ethyl]tetrahydropyran-4-amine N-[2-[(4aR,8aS)-3,4,4a,5,6,7,8,8…

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) 2.67 7.58 -120.17 3 3 2 30 268.445 4 ↓
Mid Mid (pH 6-8) 2.67 5.44 -40.29 2 3 1 29 267.437 4 ↓
Mid Mid (pH 6-8) 2.67 6.4 -33.56 2 3 1 26 267.437 4 ↓

Parameters Provided:

ring.id = 268604
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 = 268604 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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