UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-2-(8-chloro-2,3-dihydro-1,4-benzodioxin-6-yl)thiazolidine-4-carboxylic (2R,4R)-2-(8-chloro-2,3-dihydro-…

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) 0.14 5.73 -32.77 2 5 0 75 301.751 2 ↓
Mid Mid (pH 6-8) 0.14 4.47 -42.96 1 5 -1 71 300.743 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-2-(8-chloro-2,3-dihydro-1,4-benzodioxin-6-yl)thiazolidine-4-carboxylic (2S,4R)-2-(8-chloro-2,3-dihydro-…

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) 0.14 5.67 -29.35 2 5 0 75 301.751 2 ↓
Mid Mid (pH 6-8) 0.14 4.91 -41.09 1 5 -1 71 300.743 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-2-(8-chloro-2,3-dihydro-1,4-benzodioxin-6-yl)thiazolidine-4-carboxylic (2R,4S)-2-(8-chloro-2,3-dihydro-…

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) 0.14 5.79 -30.43 2 5 0 75 301.751 2 ↓
Mid Mid (pH 6-8) 0.14 4.8 -44.41 1 5 -1 71 300.743 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-2-(8-chloro-2,3-dihydro-1,4-benzodioxin-6-yl)thiazolidine-4-carboxylic (2S,4S)-2-(8-chloro-2,3-dihydro-…

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) 0.14 5.7 -33.48 2 5 0 75 301.751 2 ↓
Mid Mid (pH 6-8) 0.14 4.98 -44.93 1 5 -1 71 300.743 2 ↓

Parameters Provided:

ring.id = 565770
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 = 565770 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=565770&filter.purchasability=annotated

Embed Link to Results