UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

15941313
15941313
15941316
15941316
15941318
15941318

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[[(3aR,6aR)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d]thiazol-2-yl]amino]phenyl]-N-[2-(2,4-dim 2-[4-[[(3aR,6aR)-5,5-dioxo-3a,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) 2.46 4.7 -28.02 2 8 0 106 489.619 8 ↓
Lo Low (pH 4.5-6) 2.46 5.27 -52.05 3 8 1 108 490.627 9 ↓

Analogs

15941316
15941316
15941318
15941318
15941311
15941311

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[[(3aS,6aR)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d]thiazol-2-yl]amino]phenyl]-N-[2-(2,4-dim 2-[4-[[(3aS,6aR)-5,5-dioxo-3a,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) 2.46 4.91 -24.82 2 8 0 106 489.619 8 ↓
Lo Low (pH 4.5-6) 2.46 4.95 -49.52 3 8 1 108 490.627 9 ↓

Analogs

15941318
15941318
15941311
15941311
15941313
15941313

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[[(3aR,6aS)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d]thiazol-2-yl]amino]phenyl]-N-[2-(2,4-dim 2-[4-[[(3aR,6aS)-5,5-dioxo-3a,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) 2.46 4.97 -24.33 2 8 0 106 489.619 8 ↓
Lo Low (pH 4.5-6) 2.46 4.98 -49.01 3 8 1 108 490.627 9 ↓

Analogs

15941311
15941311
15941313
15941313

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[[(3aS,6aS)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d]thiazol-2-yl]amino]phenyl]-N-[2-(2,4-dim 2-[4-[[(3aS,6aS)-5,5-dioxo-3a,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) 2.46 5.11 -26.7 2 8 0 106 489.619 8 ↓
Lo Low (pH 4.5-6) 2.46 5.1 -52.67 3 8 1 108 490.627 9 ↓

Parameters Provided:

ring.id = 255685
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 = 255685 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=255685&filter.purchasability=annotated

Embed Link to Results