Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_11cf0b813i51s3btsj2631ejd4, 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: 1-[1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]triazol-4-yl]-2,2,2-trifluoro-ethanone 1-[1-[(4,6-diamino-1,3,5-triazin…

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) -0.79 3.12 -13.73 4 9 0 139 288.193 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[[4-(1-amino-1-methyl-ethyl)triazol-1-yl]methyl]-1,3,5-triazine-2,4-diamine 6-[[4-(1-amino-1-methyl-ethyl)tr…

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) -1.04 1.48 -57.4 7 9 1 149 250.29 3 ↓
Hi High (pH 8-9.5) -1.04 1.22 -13.51 6 9 0 147 249.282 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[[4-(1-amino-1-methyl-ethyl)triazol-1-yl]methyl]-N4,N4-dimethyl-1,3,5-triazine-2,4-diamine 6-[[4-(1-amino-1-methyl-ethyl)tr…

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) 0.11 4.57 -57.42 5 9 1 126 278.344 4 ↓
Hi High (pH 8-9.5) 0.11 4.36 -13.42 4 9 0 125 277.336 4 ↓
Lo Low (pH 4.5-6) 0.11 4.94 -98.17 6 9 2 128 279.352 4 ↓

Parameters Provided:

ring.id = 103855
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 = 103855 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=103855&filter.purchasability=annotated

Embed Link to Results