Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_og2865tev9p03rsr7h46mmitn3, 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

7736368
7736368
42581662
42581662
42581665
42581665
42581668
42581668
42581671
42581671

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S)-1-cyclohexylethyl]imidazolidine-2,4,5-trione 1-[(1S)-1-cyclohexylethyl]imidaz…

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) 1.16 3.71 -5.53 1 5 0 72 224.26 2 ↓
Hi High (pH 8-9.5) 1.61 1.02 -37.19 0 5 -1 75 223.252 2 ↓

Analogs

7736368
7736368
42581662
42581662
42581665
42581665
42581668
42581668
42581671
42581671

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R)-1-cyclohexylethyl]imidazolidine-2,4,5-trione 1-[(1R)-1-cyclohexylethyl]imidaz…

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) 1.16 3.61 -5.55 1 5 0 72 224.26 2 ↓
Hi High (pH 8-9.5) 1.61 0.86 -37.07 0 5 -1 75 223.252 2 ↓

Analogs

42581662
42581662
42581665
42581665
42581668
42581668
42581671
42581671

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S)-1-cyclohexylpropyl]imidazolidine-2,4,5-trione 1-[(1S)-1-cyclohexylpropyl]imida…

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) 1.66 4.77 -5.35 1 5 0 72 238.287 3 ↓
Hi High (pH 8-9.5) 2.12 2.1 -37.93 0 5 -1 75 237.279 3 ↓

Analogs

42581662
42581662
42581665
42581665
42581668
42581668
42581671
42581671

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R)-1-cyclohexylpropyl]imidazolidine-2,4,5-trione 1-[(1R)-1-cyclohexylpropyl]imida…

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) 1.66 4.69 -5.37 1 5 0 72 238.287 3 ↓
Hi High (pH 8-9.5) 2.12 1.94 -37.85 0 5 -1 75 237.279 3 ↓

Parameters Provided:

ring.id = 221741
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 = 221741 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=221741&filter.purchasability=annotated

Embed Link to Results