UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

34388192
34388192
34388193
34388193
39983440
39983440
39983441
39983441

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-3-[3-(1,1-dioxothiolan-3-yl)-4-oxo-2-thioxo-thiazolidin-5-ylidene]-1-methyl-indolin-2-one 5-bromo-3-[3-(1,1-dioxothiolan-3…

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) 2.03 -6.39 -16.09 0 6 0 78 473.395 1 ↓

Analogs

34388192
34388192
34388193
34388193
39983440
39983440
39983441
39983441

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-3-[3-(1,1-dioxothiolan-3-yl)-4-oxo-2-thioxo-thiazolidin-5-ylidene]-1-methyl-indolin-2-one 5-bromo-3-[3-(1,1-dioxothiolan-3…

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) 2.03 -6.39 -16.21 0 6 0 78 473.395 1 ↓

Analogs

1182189
1182189
12411982
12411982

Draw Identity 99% 90% 80% 70%

Popular Name: (3Z)-3-[3-[(3R)-1,1-dioxothiolan-3-yl]-4-oxo-2-thioxo-thiazolidin-5-ylidene]-1-methyl-indolin-2-one (3Z)-3-[3-[(3R)-1,1-dioxothiolan…

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) 1.25 5.45 -16.63 0 6 0 78 394.499 1 ↓

Analogs

1182189
1182189
12411982
12411982

Draw Identity 99% 90% 80% 70%

Popular Name: (3Z)-3-[3-[(3S)-1,1-dioxothiolan-3-yl]-4-oxo-2-thioxo-thiazolidin-5-ylidene]-1-methyl-indolin-2-one (3Z)-3-[3-[(3S)-1,1-dioxothiolan…

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) 1.25 5.33 -15.89 0 6 0 78 394.499 1 ↓

Parameters Provided:

ring.id = 4765
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 = 4765 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=4765&filter.purchasability=annotated

Embed Link to Results