Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_v8e7marifohg0c5a2vs89dlpi7, 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-[(1-ethylbenzimidazol-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine (6R)-N-[(1-ethylbenzimidazol-2-y…

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) 1.09 8.66 -58.93 2 6 1 65 297.386 4 ↓
Mid Mid (pH 6-8) 1.09 7.5 -13.67 1 6 0 61 296.378 4 ↓
Mid Mid (pH 6-8) 1.09 8 -36.91 2 6 1 62 297.386 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 1.09 8.65 -60.97 2 6 1 65 297.386 4 ↓
Mid Mid (pH 6-8) 1.09 7.97 -36.95 2 6 1 62 297.386 4 ↓
Mid Mid (pH 6-8) 1.09 7.48 -15.96 1 6 0 61 296.378 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6R)-N-[(1-methylbenzimidazol-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine (6R)-N-[(1-methylbenzimidazol-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) 0.71 7.75 -59.24 2 6 1 65 283.359 3 ↓
Mid Mid (pH 6-8) 0.71 7.03 -37.3 2 6 1 62 283.359 3 ↓
Mid Mid (pH 6-8) 0.71 6.59 -14.29 1 6 0 61 282.351 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-N-[(1-methylbenzimidazol-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine (6S)-N-[(1-methylbenzimidazol-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) 0.71 7.74 -61.21 2 6 1 65 283.359 3 ↓
Mid Mid (pH 6-8) 0.71 7.01 -37.39 2 6 1 62 283.359 3 ↓
Mid Mid (pH 6-8) 0.71 6.57 -16.46 1 6 0 61 282.351 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6R)-N-[(5-chloro-1-methyl-benzimidazol-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridi (6R)-N-[(5-chloro-1-methyl-benzi…

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) 1.36 8.26 -61.9 2 6 1 65 317.804 3 ↓
Mid Mid (pH 6-8) 1.36 7.11 -14.07 1 6 0 61 316.796 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-N-[(5-chloro-1-methyl-benzimidazol-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridi (6S)-N-[(5-chloro-1-methyl-benzi…

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) 1.36 8.25 -64.01 2 6 1 65 317.804 3 ↓
Mid Mid (pH 6-8) 1.36 7.09 -16.45 1 6 0 61 316.796 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6R)-2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin (6R)-2-methyl-N-[(1-methylbenzim…

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) 0.80 7.63 -59.52 2 6 1 65 297.386 3 ↓
Mid Mid (pH 6-8) 0.80 6.89 -38.45 2 6 1 62 297.386 3 ↓
Mid Mid (pH 6-8) 0.80 6.46 -13.56 1 6 0 61 296.378 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 0.80 7.62 -61.51 2 6 1 65 297.386 3 ↓
Mid Mid (pH 6-8) 0.80 6.48 -14.72 1 6 0 61 296.378 3 ↓
Mid Mid (pH 6-8) 0.80 6.91 -37.55 2 6 1 62 297.386 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6R)-N-[(1-ethyl-5-fluoro-benzimidazol-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin (6R)-N-[(1-ethyl-5-fluoro-benzim…

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) 1.23 8.73 -62.5 2 6 1 65 315.376 4 ↓
Mid Mid (pH 6-8) 1.23 7.57 -14.14 1 6 0 61 314.368 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) 1.23 8.72 -64.75 2 6 1 65 315.376 4 ↓
Mid Mid (pH 6-8) 1.23 7.55 -16.69 1 6 0 61 314.368 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-chloro-2-[[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]methyl]benzimidazo 2-[5-chloro-2-[[[(6R)-5,6,7,8-te…

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) 0.73 5.81 -62.95 3 7 1 85 347.83 5 ↓
Mid Mid (pH 6-8) 0.73 4.66 -13.32 2 7 0 81 346.822 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-chloro-2-[[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]methyl]benzimidazo 2-[5-chloro-2-[[[(6S)-5,6,7,8-te…

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) 0.73 5.82 -61.27 3 7 1 85 347.83 5 ↓
Mid Mid (pH 6-8) 0.73 4.64 -12.54 2 7 0 81 346.822 5 ↓

Parameters Provided:

ring.id = 353420
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 = 353420 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=353420&filter.purchasability=annotated

Embed Link to Results