Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_b8min81nprv49e75r36v4vivu5, 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

42609551
42609551
42609552
42609552
42778211
42778211
12505706
12505706

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-[4-(chloromethyl)thiazol-2-yl]propyl]-N-ethyl-cyclopropanamine N-[3-[4-(chloromethyl)thiazol-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) 2.64 8.42 -35.82 1 2 1 17 259.826 7 ↓

Analogs

42609551
42609551
42609552
42609552
42778211
42778211
12505706
12505706

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-[4-(chloromethyl)thiazol-2-yl]propyl]-N-methyl-cyclopropanamine N-[3-[4-(chloromethyl)thiazol-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) 2.26 7.78 -36.67 1 2 1 17 245.799 6 ↓

Analogs

42609551
42609551
42609552
42609552
42778211
42778211
12505706
12505706

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-[4-(chloromethyl)thiazol-2-yl]propyl]-N-propyl-cyclopropanamine N-[3-[4-(chloromethyl)thiazol-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) 3.14 9.17 -36.48 1 2 1 17 273.853 8 ↓

Parameters Provided:

ring.id = 138169
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 = 138169 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=138169&filter.purchasability=annotated

Embed Link to Results