UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-3-[(6R)-2,2,6-trimethylmorpholine-4-carbonyl]thiazolidine-4-carboxylic (4R)-3-[(6R)-2,2,6-trimethylmorp…

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) -0.59 6.08 -40.26 0 6 -1 73 287.361 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-3-[(6S)-2,2,6-trimethylmorpholine-4-carbonyl]thiazolidine-4-carboxylic (4R)-3-[(6S)-2,2,6-trimethylmorp…

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) -0.59 6.07 -40.54 0 6 -1 73 287.361 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-3-[(6R)-2,2,6-trimethylmorpholine-4-carbonyl]thiazolidine-4-carboxylic (4S)-3-[(6R)-2,2,6-trimethylmorp…

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) -0.59 4.85 -44.72 0 6 -1 73 287.361 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-3-[(6S)-2,2,6-trimethylmorpholine-4-carbonyl]thiazolidine-4-carboxylic (4S)-3-[(6S)-2,2,6-trimethylmorp…

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) -0.59 4.98 -43.89 0 6 -1 73 287.361 1 ↓

Analogs

35193349
35193349
35193350
35193350
20256656
20256656
20256657
20256657

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-3-(3,3-dimethylmorpholine-4-carbonyl)thiazolidine-4-carboxylic (4R)-3-(3,3-dimethylmorpholine-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) -0.96 4.62 -53.53 0 6 -1 73 273.334 1 ↓

Analogs

35193349
35193349
35193350
35193350
20256656
20256656
20256657
20256657

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-3-(3,3-dimethylmorpholine-4-carbonyl)thiazolidine-4-carboxylic (4S)-3-(3,3-dimethylmorpholine-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) -0.96 4.25 -54.22 0 6 -1 73 273.334 1 ↓

Parameters Provided:

ring.id = 568401
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 = 568401 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=568401&filter.purchasability=annotated

Embed Link to Results