UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-3-methyl-thiophene-2-carboxylic 5-[(1,1-dioxo-1,4-thiazinan-4-yl…

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) 0.65 0.85 -53.33 0 7 -1 112 338.408 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-2-thienyl]acetic 2-[5-[(1,1-dioxo-1,4-thiazinan-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) 0.12 1.12 -53.33 0 7 -1 112 338.408 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]thiophene-3-carboxylic 5-[(1,1-dioxo-1,4-thiazinan-4-yl…

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) -0.04 0.14 -56.86 0 7 -1 112 324.381 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-2-thienyl]methanamine [5-[(1,1-dioxo-1,4-thiazinan-4-y…

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) -0.12 -2.21 -64.7 3 6 1 99 311.43 3 ↓
Hi High (pH 8-9.5) -0.12 -2.6 -16.59 2 6 0 98 310.422 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-2-thienyl]ethanamine 2-[5-[(1,1-dioxo-1,4-thiazinan-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) -0.32 -1.44 -64.47 3 6 1 99 325.457 4 ↓

Parameters Provided:

ring.id = 79297
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 = 79297 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=79297&filter.purchasability=annotated

Embed Link to Results