Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_86nc69tbntquluavgdq2vn9m60, 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

36623615
36623615
36623616
36623616
36623617
36623617
36623618
36623618

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-2-Thiophen-2-ylthiazolidine-4-carboxylic acid (R)-2-Thiophen-2-ylthiazolidine-…

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) -0.27 3.89 -41.84 1 3 -1 52 214.291 2 ↓

Analogs

36623615
36623615
36623616
36623616
36623617
36623617
36623618
36623618

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-2-Thiophen-2-ylthiazolidine-4-carboxylic acid (R)-2-Thiophen-2-ylthiazolidine-…

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) -0.27 3.97 -39.78 1 3 -1 52 214.291 2 ↓

Analogs

36623615
36623615
36623616
36623616
36623617
36623617
36623618
36623618

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-Thienyl)-1,3-thiazolidine-4-carboxylic acid 2-(2-Thienyl)-1,3-thiazolidine-4…

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) -0.27 4.07 -43.03 1 3 -1 52 214.291 2 ↓

Analogs

36623615
36623615
36623616
36623616
36623617
36623617
36623618
36623618

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-Thienyl)-1,3-thiazolidine-4-carboxylic acid 2-(2-Thienyl)-1,3-thiazolidine-4…

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) -0.27 4.04 -43.37 1 3 -1 52 214.291 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5,5-Dimethyl-2-(2-thienyl)-1,3-thiazolidine-4-carboxylic acid 5,5-Dimethyl-2-(2-thienyl)-1,3-t…

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) 0.54 5.03 -44.08 1 3 -1 52 242.345 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5,5-Dimethyl-2-(2-thienyl)-1,3-thiazolidine-4-carboxylic acid 5,5-Dimethyl-2-(2-thienyl)-1,3-t…

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) 0.54 5.13 -45 1 3 -1 52 242.345 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5,5-Dimethyl-2-(2-thienyl)-1,3-thiazolidine-4-carboxylic acid 5,5-Dimethyl-2-(2-thienyl)-1,3-t…

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) 0.54 5 -42.08 1 3 -1 52 242.345 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5,5-Dimethyl-2-(2-thienyl)-1,3-thiazolidine-4-carboxylic acid 5,5-Dimethyl-2-(2-thienyl)-1,3-t…

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) 0.54 5.26 -45.91 1 3 -1 52 242.345 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5-nitro-2-thienyl)-1,3-thiazolane-4-carboxylic acid 2-(5-nitro-2-thienyl)-1,3-thiazo…

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) -0.19 4.84 -41.43 1 6 -1 98 259.288 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5-nitro-2-thienyl)-1,3-thiazolane-4-carboxylic acid 2-(5-nitro-2-thienyl)-1,3-thiazo…

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) -0.19 4.92 -37.86 1 6 -1 98 259.288 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5-nitro-2-thienyl)-1,3-thiazolane-4-carboxylic acid 2-(5-nitro-2-thienyl)-1,3-thiazo…

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) -0.19 5.02 -42.15 1 6 -1 98 259.288 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5-nitro-2-thienyl)-1,3-thiazolane-4-carboxylic acid 2-(5-nitro-2-thienyl)-1,3-thiazo…

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) -0.19 4.99 -43.53 1 6 -1 98 259.288 3 ↓

Parameters Provided:

ring.id = 251087
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 = 251087 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=251087&filter.purchasability=annotated

Embed Link to Results