Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_2phea1ci88rqnoh93f98j2r5a7, 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)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-ami (6R)-N-[[4-(1,2,4-triazol-1-yl)p…

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) -0.16 9.9 -67.28 2 7 1 78 296.358 4 ↓
Mid Mid (pH 6-8) -0.16 8.75 -14.37 1 7 0 73 295.35 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-ami (6S)-N-[[4-(1,2,4-triazol-1-yl)p…

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) -0.16 9.9 -66.56 2 7 1 78 296.358 4 ↓
Mid Mid (pH 6-8) -0.16 8.73 -14.24 1 7 0 73 295.35 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6R)-N-[[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyri (6R)-N-[[3-fluoro-4-(1,2,4-triaz…

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) 0.15 9.83 -69.56 2 7 1 78 314.348 4 ↓
Mid Mid (pH 6-8) 0.15 8.67 -13.48 1 7 0 73 313.34 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-N-[[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyri (6S)-N-[[3-fluoro-4-(1,2,4-triaz…

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) 0.15 9.83 -69.58 2 7 1 78 314.348 4 ↓
Mid Mid (pH 6-8) 0.15 8.65 -14.12 1 7 0 73 313.34 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6R)-N-[[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1 (6R)-N-[[3-fluoro-4-(1,2,4-triaz…

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) 0.23 9.72 -69.98 2 7 1 78 328.375 4 ↓
Mid Mid (pH 6-8) 0.23 8.54 -14.73 1 7 0 73 327.367 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-N-[[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1 (6S)-N-[[3-fluoro-4-(1,2,4-triaz…

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) 0.23 9.72 -69.94 2 7 1 78 328.375 4 ↓
Mid Mid (pH 6-8) 0.23 8.56 -14.05 1 7 0 73 327.367 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6R)-2-methyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyri (6R)-2-methyl-N-[[4-(1,2,4-triaz…

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) -0.07 9.79 -66.91 2 7 1 78 310.385 4 ↓
Mid Mid (pH 6-8) -0.07 8.61 -14.89 1 7 0 73 309.377 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-2-methyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyri (6S)-2-methyl-N-[[4-(1,2,4-triaz…

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) -0.07 9.79 -67.67 2 7 1 78 310.385 4 ↓
Mid Mid (pH 6-8) -0.07 8.63 -15.03 1 7 0 73 309.377 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6R)-2-ethyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrid (6R)-2-ethyl-N-[[4-(1,2,4-triazo…

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) 0.50 10.4 -66.76 2 7 1 78 324.412 5 ↓
Mid Mid (pH 6-8) 0.50 9.22 -14.71 1 7 0 73 323.404 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-2-ethyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrid (6S)-2-ethyl-N-[[4-(1,2,4-triazo…

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) 0.50 10.4 -67.32 2 7 1 78 324.412 5 ↓
Mid Mid (pH 6-8) 0.50 9.24 -14.79 1 7 0 73 323.404 5 ↓

Parameters Provided:

ring.id = 353351
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 = 353351 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=353351&filter.purchasability=annotated

Embed Link to Results