Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_4emlfp3oi6k9u8q3rq3eut09i0, 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: (6R)-2-ethyl-N-[(5-fluoro-8-quinolyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amin (6R)-2-ethyl-N-[(5-fluoro-8-quin…

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) 2.08 8.45 -54.56 2 5 1 60 326.399 4 ↓
Mid Mid (pH 6-8) 2.08 7.23 -12.55 1 5 0 56 325.391 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-2-ethyl-N-[(5-fluoro-8-quinolyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amin (6S)-2-ethyl-N-[(5-fluoro-8-quin…

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) 2.08 8.44 -53.21 2 5 1 60 326.399 4 ↓
Mid Mid (pH 6-8) 2.08 7.25 -11.27 1 5 0 56 325.391 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6R)-N-[(7-chloro-8-quinolyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine (6R)-N-[(7-chloro-8-quinolyl)met…

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) 1.63 8.31 -43.89 2 5 1 60 314.8 3 ↓
Mid Mid (pH 6-8) 1.63 7.15 -10.43 1 5 0 56 313.792 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-N-[(7-chloro-8-quinolyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine (6S)-N-[(7-chloro-8-quinolyl)met…

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) 1.63 8.31 -43.9 2 5 1 60 314.8 3 ↓
Mid Mid (pH 6-8) 1.63 7.12 -11.04 1 5 0 56 313.792 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6R)-N-[(7-chloro-8-quinolyl)methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-ami (6R)-N-[(7-chloro-8-quinolyl)met…

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) 1.72 8.2 -44.3 2 5 1 60 328.827 3 ↓
Mid Mid (pH 6-8) 1.72 7.01 -11.81 1 5 0 56 327.819 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-N-[(7-chloro-8-quinolyl)methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-ami (6S)-N-[(7-chloro-8-quinolyl)met…

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) 1.72 8.2 -44.26 2 5 1 60 328.827 3 ↓
Mid Mid (pH 6-8) 1.72 7.03 -11.2 1 5 0 56 327.819 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6R)-N-[(5-chloro-8-quinolyl)methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-ami (6R)-N-[(5-chloro-8-quinolyl)met…

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) 2.02 8.23 -54.07 2 5 1 60 328.827 3 ↓
Mid Mid (pH 6-8) 2.02 7 -12.21 1 5 0 56 327.819 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-N-[(5-chloro-8-quinolyl)methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-ami (6S)-N-[(5-chloro-8-quinolyl)met…

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) 2.02 8.22 -52.73 2 5 1 60 328.827 3 ↓
Mid Mid (pH 6-8) 2.02 7.03 -10.91 1 5 0 56 327.819 3 ↓

Parameters Provided:

ring.id = 485344
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 = 485344 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=485344&filter.purchasability=annotated

Embed Link to Results