Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_jth04pv199tj3ulchkmsepl7o2, 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: 2-methoxy-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]ace 2-methoxy-N-[(9-methyltetrazolo[…

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) 1.47 1.66 -13.08 0 8 0 81 369.425 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[[(2S)-tetrahydrofuran-2-yl]methyl]ace 2-methoxy-N-[(9-methyltetrazolo[…

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) 1.47 1.58 -30.8 0 8 0 81 369.425 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,2,2-trifluoro-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[[(2R)-tetrahydrofuran-2-yl]meth 2,2,2-trifluoro-N-[(9-methyltetr…

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) 2.41 3.14 -22.35 0 7 0 72 393.369 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,2,2-trifluoro-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[[(2S)-tetrahydrofuran-2-yl]meth 2,2,2-trifluoro-N-[(9-methyltetr…

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) 2.41 3.2 -25.09 0 7 0 72 393.369 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,3-dimethyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[[(2R)-tetrahydrofuran-2-yl]methyl] 3,3-dimethyl-N-[(9-methyltetrazo…

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) 3.45 2.79 -9.82 0 7 0 72 395.507 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,3-dimethyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[[(2S)-tetrahydrofuran-2-yl]methyl] 3,3-dimethyl-N-[(9-methyltetrazo…

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) 3.45 2.76 -23.36 0 7 0 72 395.507 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,1-dimethyl-3-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-3-[[(2R)-tetrahydrofuran-2-yl]methyl] 1,1-dimethyl-3-[(7-methyltetrazo…

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) 1.69 1.37 -24.19 0 8 0 75 368.441 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,1-dimethyl-3-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-3-[[(2S)-tetrahydrofuran-2-yl]methyl] 1,1-dimethyl-3-[(7-methyltetrazo…

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) 1.69 0.6 -26.71 0 8 0 75 368.441 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]ace 2-methoxy-N-[(7-methyltetrazolo[…

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) 1.49 1.79 -12.57 0 8 0 81 369.425 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[[(2S)-tetrahydrofuran-2-yl]methyl]ace 2-methoxy-N-[(7-methyltetrazolo[…

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) 1.49 1.37 -22.52 0 8 0 81 369.425 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,2,2-trifluoro-N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[[(2R)-tetrahydrofuran-2-yl]meth 2,2,2-trifluoro-N-[(7-methyltetr…

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) 2.43 3.09 -17.25 0 7 0 72 393.369 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,2,2-trifluoro-N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[[(2S)-tetrahydrofuran-2-yl]meth 2,2,2-trifluoro-N-[(7-methyltetr…

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) 2.43 3.58 -22.45 0 7 0 72 393.369 5 ↓

Parameters Provided:

ring.id = 224523
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 = 224523 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=224523&filter.purchasability=annotated

Embed Link to Results