Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_gogpgb1vpnhnbdvfibbsng8lq4, 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: (1S)-N-[(1-methyltriazol-4-yl)methyl]-1-(2H-tetrazol-5-yl)ethanamine (1S)-N-[(1-methyltriazol-4-yl)me…

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) -0.97 -1.52 -45.86 1 8 -1 96 207.221 4 ↓
Mid Mid (pH 6-8) -0.97 -0.25 -43.94 2 8 0 100 208.229 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[(1-methyltriazol-4-yl)methyl]-1-(2H-tetrazol-5-yl)ethanamine (1R)-N-[(1-methyltriazol-4-yl)me…

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) -0.97 -1.41 -43.75 1 8 -1 96 207.221 4 ↓
Mid Mid (pH 6-8) -0.97 -0.25 -43.3 2 8 0 100 208.229 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(1-methyltriazol-4-yl)-N-(1H-tetrazol-5-ylmethyl)methanamine 1-(1-methyltriazol-4-yl)-N-(1H-t…

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 -1.94 -45.71 1 8 -1 96 193.194 4 ↓
Mid Mid (pH 6-8) -1.53 -0.57 -45.05 2 8 0 100 194.202 4 ↓

Parameters Provided:

ring.id = 157494
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 = 157494 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=157494&filter.purchasability=annotated

Embed Link to Results