UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

41203272
41203272

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(thiophen-2-yl)thiomorpholine 3-(thiophen-2-yl)thiomorpholine

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) 1.97 5.04 -37.04 2 1 1 17 186.325 1 ↓
Mid Mid (pH 6-8) 1.97 3.81 -2.77 1 1 0 12 185.317 1 ↓

Analogs

41203269
41203269

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(thiophen-2-yl)thiomorpholine 3-(thiophen-2-yl)thiomorpholine

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) 1.97 5.04 -37.04 2 1 1 17 186.325 1 ↓
Mid Mid (pH 6-8) 1.97 3.83 -2.74 1 1 0 12 185.317 1 ↓

Analogs

41233695
41233695

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-(5-chloro-2-thienyl)thiomorpholine (3S)-3-(5-chloro-2-thienyl)thiom…

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) 2.77 5.67 -40.3 2 1 1 17 220.77 1 ↓
Mid Mid (pH 6-8) 2.77 4.43 -2.45 1 1 0 12 219.762 1 ↓

Analogs

41233694
41233694

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(5-chloro-2-thienyl)thiomorpholine (3R)-3-(5-chloro-2-thienyl)thiom…

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) 2.77 5.67 -40.3 2 1 1 17 220.77 1 ↓
Mid Mid (pH 6-8) 2.77 4.45 -2.43 1 1 0 12 219.762 1 ↓

Parameters Provided:

ring.id = 71451
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 = 71451 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=71451&filter.purchasability=annotated

Embed Link to Results