Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_066rt8r76nauol5qivgem0sla6, 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-[[(6S)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]-6-methyl-imidazo[2,1- N-[[(6S)-3-ethyl-5,6,7,8-tetrahy…

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) 1.50 8.55 -21.64 1 7 0 73 317.422 4 ↓
Mid Mid (pH 6-8) 1.50 9.05 -41.18 2 7 1 74 318.43 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(6R)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]-6-methyl-imidazo[2,1- N-[[(6R)-3-ethyl-5,6,7,8-tetrahy…

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) 1.50 8.58 -21.59 1 7 0 73 317.422 4 ↓
Mid Mid (pH 6-8) 1.50 9.07 -41.1 2 7 1 74 318.43 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(6S)-3-isopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]-6-methyl-imidazo[ N-[[(6S)-3-isopropyl-5,6,7,8-tet…

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) 1.98 8.99 -21.29 1 7 0 73 331.449 4 ↓
Mid Mid (pH 6-8) 1.98 9.48 -40.77 2 7 1 74 332.457 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(6R)-3-isopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]-6-methyl-imidazo[ N-[[(6R)-3-isopropyl-5,6,7,8-tet…

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) 1.98 8.99 -21.3 1 7 0 73 331.449 4 ↓
Mid Mid (pH 6-8) 1.98 9.48 -40.77 2 7 1 74 332.457 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-tert-butyl-N-[[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]imidazo[ 6-tert-butyl-N-[[(6S)-3-methyl-5…

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) 2.65 9.84 -21.27 1 7 0 73 345.476 4 ↓
Mid Mid (pH 6-8) 2.65 10.33 -39.69 2 7 1 74 346.484 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-tert-butyl-N-[[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]imidazo[ 6-tert-butyl-N-[[(6R)-3-methyl-5…

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) 2.65 9.86 -21.24 1 7 0 73 345.476 4 ↓
Mid Mid (pH 6-8) 2.65 10.36 -39.69 2 7 1 74 346.484 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-methyl-N-[[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]imidazo[2,1- 6-methyl-N-[[(6S)-3-methyl-5,6,7…

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) 0.92 7.95 -21.98 1 7 0 73 303.395 3 ↓
Mid Mid (pH 6-8) 0.92 8.45 -41.3 2 7 1 74 304.403 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-methyl-N-[[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]imidazo[2,1- 6-methyl-N-[[(6R)-3-methyl-5,6,7…

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) 0.92 7.93 -21.97 1 7 0 73 303.395 3 ↓
Mid Mid (pH 6-8) 0.92 8.42 -41.33 2 7 1 74 304.403 3 ↓

Parameters Provided:

ring.id = 373075
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 = 373075 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=373075&filter.purchasability=annotated

Embed Link to Results