Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_qd0q0ecv4cbv22fglpjc3q34d5, 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: 9-Methyl-1-oxa-9-azaspiro[5.5]undec-4-yl methanesulfonate hydrochloride 9-Methyl-1-oxa-9-azaspiro[5.5]un…

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) 0.54 2.96 -44.77 1 5 1 57 264.367 2 ↓
Hi High (pH 8-9.5) 0.54 0.57 -11.76 0 5 0 56 263.359 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 9-Methyl-1-oxa-9-azaspiro[5.5]undec-4-yl methanesulfonate hydrochloride 9-Methyl-1-oxa-9-azaspiro[5.5]un…

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) 0.54 2.96 -49.45 1 5 1 57 264.367 2 ↓
Hi High (pH 8-9.5) 0.54 0.58 -11.37 0 5 0 56 263.359 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 9-Benzyl-1-oxa-9-azaspiro[5.5]undec-4-yl methanesulfonate hydrochloride 9-Benzyl-1-oxa-9-azaspiro[5.5]un…

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) 1.94 6.52 -50.99 1 5 1 57 340.465 4 ↓
Hi High (pH 8-9.5) 1.94 4.28 -11.7 0 5 0 56 339.457 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 9-Benzyl-1-oxa-9-azaspiro[5.5]undec-4-yl methanesulfonate hydrochloride 9-Benzyl-1-oxa-9-azaspiro[5.5]un…

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) 1.94 6.52 -50.94 1 5 1 57 340.465 4 ↓
Hi High (pH 8-9.5) 1.94 4.29 -11.67 0 5 0 56 339.457 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-Oxa-9-azaspiro[5.5]undecan-4-ol hydrochloride 1-Oxa-9-azaspiro[5.5]undecan-4-o…

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) -0.05 -0.14 -40.78 3 3 1 46 172.248 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-Oxa-9-azaspiro[5.5]undecan-4-ol hydrochloride 1-Oxa-9-azaspiro[5.5]undecan-4-o…

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) -0.05 -0.15 -40.81 3 3 1 46 172.248 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 9-Benzyl-1-oxa-9-azaspiro[5.5]undecan-4-amine dihydrochloride 9-Benzyl-1-oxa-9-azaspiro[5.5]un…

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) 1.45 6.22 -94.53 4 3 2 41 262.397 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 9-Benzyl-1-oxa-9-azaspiro[5.5]undecan-4-amine dihydrochloride 9-Benzyl-1-oxa-9-azaspiro[5.5]un…

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) 1.45 6.22 -94.53 4 3 2 41 262.397 2 ↓

Parameters Provided:

ring.id = 286901
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 = 286901 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=286901&filter.purchasability=annotated

Embed Link to Results