Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_0c6p4mqvmhpve9qm44nkkfv1d3, O_RDWR) failed: No such file or directory (2) in /domains/zinc12/htdocs/lib/zinc/user/ZincAuthentication.php on line 109

Warning: session_write_close() [function.session-write-close]: Failed to write session data (files). Please verify that the current setting of session.save_path is correct (/tmp/session) in /domains/zinc12/htdocs/lib/zinc/user/ZincAuthentication.php on line 109
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: (1R)-1-benzyl-8-methyl-2-azaspiro[4.5]decane (1R)-1-benzyl-8-methyl-2-azaspir…

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) 3.78 9.42 -37.76 2 1 1 17 244.402 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-benzyl-8-methyl-2-azaspiro[4.5]decane (1S)-1-benzyl-8-methyl-2-azaspir…

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) 3.78 9.42 -37.73 2 1 1 17 244.402 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,5R,10R)-1-benzyl-10-methyl-2-azaspiro[4.5]decane (1R,5R,10R)-1-benzyl-10-methyl-2…

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) 4.25 9.04 -37.63 2 1 1 17 244.402 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,5R,10S)-1-benzyl-10-methyl-2-azaspiro[4.5]decane (1R,5R,10S)-1-benzyl-10-methyl-2…

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) 4.25 9.02 -37.59 2 1 1 17 244.402 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,5S,10R)-1-benzyl-10-methyl-2-azaspiro[4.5]decane (1R,5S,10R)-1-benzyl-10-methyl-2…

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) 4.25 8.96 -38.07 2 1 1 17 244.402 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,5S,10S)-1-benzyl-10-methyl-2-azaspiro[4.5]decane (1R,5S,10S)-1-benzyl-10-methyl-2…

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) 4.25 8.93 -31.58 2 1 1 17 244.402 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,5R,9R)-1-benzyl-9-methyl-2-azaspiro[4.5]decane (1R,5R,9R)-1-benzyl-9-methyl-2-a…

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) 4.02 9.4 -33.86 2 1 1 17 244.402 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,5R,9S)-1-benzyl-9-methyl-2-azaspiro[4.5]decane (1R,5R,9S)-1-benzyl-9-methyl-2-a…

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) 4.02 9.43 -37.85 2 1 1 17 244.402 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,5S,9R)-1-benzyl-9-methyl-2-azaspiro[4.5]decane (1R,5S,9R)-1-benzyl-9-methyl-2-a…

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) 4.02 9.42 -37.88 2 1 1 17 244.402 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,5S,9S)-1-benzyl-9-methyl-2-azaspiro[4.5]decane (1R,5S,9S)-1-benzyl-9-methyl-2-a…

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) 4.02 9.41 -33.95 2 1 1 17 244.402 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-benzyl-2-azaspiro[4.5]decane (1R)-1-benzyl-2-azaspiro[4.5]decane

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) 4.01 8.84 -37.38 2 1 1 17 230.375 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-benzyl-2-azaspiro[4.5]decane (1S)-1-benzyl-2-azaspiro[4.5]decane

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) 4.01 8.84 -37.36 2 1 1 17 230.375 2 ↓

Parameters Provided:

ring.id = 140313
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 = 140313 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=140313&filter.purchasability=annotated

Embed Link to Results