Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_6e5mq5ihdoes0bdsdoukovj6p3, 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: N-[[4-(2-aminoethyl)phenyl]methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine N-[[4-(2-aminoethyl)phenyl]methy…

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) 1.53 7.89 -52.22 4 5 1 70 282.371 5 ↓
Lo Low (pH 4.5-6) 1.53 8.39 -80.22 5 5 2 71 283.379 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3-aminophenyl)methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine N-[(3-aminophenyl)methyl]-7-meth…

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) 1.60 6.93 -10.22 3 5 0 68 253.309 3 ↓
Lo Low (pH 4.5-6) 1.60 7.44 -29.17 4 5 1 69 254.317 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]-2-phenyl-ethanol (2R)-2-[(7-methyl-[1,2,4]triazol…

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) 2.10 6.62 -12.52 2 5 0 62 268.32 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]-2-phenyl-ethanol (2S)-2-[(7-methyl-[1,2,4]triazol…

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) 2.10 6.61 -12.48 2 5 0 62 268.32 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-methyl-N-(m-tolylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine 7-methyl-N-(m-tolylmethyl)-[1,2,…

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) 2.97 9.73 -9.57 1 4 0 42 252.321 3 ↓
Lo Low (pH 4.5-6) 2.97 10.24 -28.89 2 4 1 43 253.329 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]methyl]benzoic 3-[[(7-methyl-[1,2,4]triazolo[1,…

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 9.62 -56.56 1 6 -1 82 281.295 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3,4-difluorophenyl)methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine N-[(3,4-difluorophenyl)methyl]-7…

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) 2.80 9.19 -13.27 1 4 0 42 274.274 3 ↓

Parameters Provided:

ring.id = 32932
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 = 32932 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=32932&filter.purchasability=annotated

Embed Link to Results