Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_16v41mmaejc2dnkk9j376vp0c7, 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: (1R,8aR)-N-(1H-imidazol-5-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (1R,8aR)-N-(1H-imidazol-5-ylmeth…

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) 0.77 5.69 -79.41 4 4 2 46 222.336 3 ↓
Hi High (pH 8-9.5) 0.77 2.97 -7.66 2 4 0 44 220.32 3 ↓
Mid Mid (pH 6-8) 0.77 5.22 -32.41 3 4 1 45 221.328 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,8aR)-N-(1H-imidazol-5-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (1S,8aR)-N-(1H-imidazol-5-ylmeth…

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) 0.77 5.5 -79.23 4 4 2 46 222.336 3 ↓
Hi High (pH 8-9.5) 0.77 2.78 -7.05 2 4 0 44 220.32 3 ↓
Mid Mid (pH 6-8) 0.77 5.04 -34.78 3 4 1 45 221.328 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,8aR)-N-[(4-methyl-1H-imidazol-5-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (1R,8aR)-N-[(4-methyl-1H-imidazo…

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) 0.99 6.25 -78.54 4 4 2 46 236.363 3 ↓
Hi High (pH 8-9.5) 0.99 3.5 -7.73 2 4 0 44 234.347 3 ↓
Mid Mid (pH 6-8) 0.99 5.76 -32.83 3 4 1 45 235.355 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,8aR)-N-[(4-methyl-1H-imidazol-5-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (1S,8aR)-N-[(4-methyl-1H-imidazo…

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) 0.99 6.07 -78.73 4 4 2 46 236.363 3 ↓
Hi High (pH 8-9.5) 0.99 3.32 -7.03 2 4 0 44 234.347 3 ↓
Mid Mid (pH 6-8) 0.99 5.58 -35.36 3 4 1 45 235.355 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,8aR)-N-[(2-methyl-1H-imidazol-4-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (1R,8aR)-N-[(2-methyl-1H-imidazo…

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) 0.86 5.49 -76.15 4 4 2 46 236.363 3 ↓
Hi High (pH 8-9.5) 0.86 2.83 -7.66 2 4 0 44 234.347 3 ↓
Mid Mid (pH 6-8) 0.86 5.08 -32.4 3 4 1 45 235.355 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,8aR)-N-[(2-methyl-1H-imidazol-4-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (1S,8aR)-N-[(2-methyl-1H-imidazo…

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) 0.86 5.31 -76.13 4 4 2 46 236.363 3 ↓
Hi High (pH 8-9.5) 0.86 2.64 -7.09 2 4 0 44 234.347 3 ↓
Mid Mid (pH 6-8) 0.86 4.9 -34.81 3 4 1 45 235.355 3 ↓

Parameters Provided:

ring.id = 152705
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 = 152705 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=152705&filter.purchasability=annotated

Embed Link to Results