Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_nq2cqopjr2ot8srn86hh4nq301, 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: (2S)-N-(1H-imidazol-5-ylmethyl)-4-methyl-2-morpholino-pentan-1-amine (2S)-N-(1H-imidazol-5-ylmethyl)-…

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) 1.24 3.39 -34.97 3 5 1 54 267.397 7 ↓
Hi High (pH 8-9.5) 1.24 2.9 -6.61 2 5 0 53 266.389 7 ↓
Mid Mid (pH 6-8) 1.24 4.09 -41.39 3 5 1 58 267.397 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(1H-imidazol-5-ylmethyl)-4-methyl-2-morpholino-pentan-1-amine (2R)-N-(1H-imidazol-5-ylmethyl)-…

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) 1.24 4.67 -34.71 3 5 1 54 267.397 7 ↓
Hi High (pH 8-9.5) 1.24 2.45 -6.58 2 5 0 53 266.389 7 ↓
Mid Mid (pH 6-8) 1.24 4.09 -40.43 3 5 1 58 267.397 7 ↓

Parameters Provided:

ring.id = 152580
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 = 152580 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=152580&filter.purchasability=annotated

Embed Link to Results