Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_ggb6b2klalh57t2jkviecmauk0, 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: (5S)-N-[(1S)-1-methyl-2-morpholino-ethyl]-5-phenyl-4,5-dihydrothiazol-2-amine (5S)-N-[(1S)-1-methyl-2-morpholi…

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) 2.18 5.53 -29.16 2 4 1 38 306.455 5 ↓
Mid Mid (pH 6-8) 2.18 7.81 -100.85 3 4 2 40 307.463 4 ↓
Mid Mid (pH 6-8) 2.18 5.5 -29.6 2 4 1 38 306.455 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-N-[(1R)-1-methyl-2-morpholino-ethyl]-5-phenyl-4,5-dihydrothiazol-2-amine (5S)-N-[(1R)-1-methyl-2-morpholi…

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) 2.18 5.47 -29.13 2 4 1 38 306.455 5 ↓
Mid Mid (pH 6-8) 2.18 7.82 -101.46 3 4 2 40 307.463 4 ↓
Mid Mid (pH 6-8) 2.18 5.47 -29.38 2 4 1 38 306.455 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-N-[(1S)-1-methyl-2-morpholino-ethyl]-5-phenyl-4,5-dihydrothiazol-2-amine (5R)-N-[(1S)-1-methyl-2-morpholi…

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) 2.18 5.53 -29.11 2 4 1 38 306.455 5 ↓
Mid Mid (pH 6-8) 2.18 7.86 -100.53 3 4 2 40 307.463 4 ↓
Mid Mid (pH 6-8) 2.18 5.54 -29.36 2 4 1 38 306.455 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-N-[(1R)-1-methyl-2-morpholino-ethyl]-5-phenyl-4,5-dihydrothiazol-2-amine (5R)-N-[(1R)-1-methyl-2-morpholi…

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) 2.18 5.47 -29.21 2 4 1 38 306.455 5 ↓
Mid Mid (pH 6-8) 2.18 5.46 -29.52 2 4 1 38 306.455 4 ↓
Mid Mid (pH 6-8) 2.18 7.8 -100.37 3 4 2 40 307.463 4 ↓

Parameters Provided:

ring.id = 572354
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 = 572354 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=572354&filter.purchasability=annotated

Embed Link to Results