UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

9059428
9059428

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-N-[5-ethyl-4-(2-thienyl)thiazol-2-yl]-6-methoxy-2-(p-tolylimino)chromene-3-carboxamide (2Z)-N-[5-ethyl-4-(2-thienyl)thi…

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) 7.03 11.72 -25.76 1 6 0 77 501.633 6 ↓

Analogs

9059429
9059429

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-N-[5-ethyl-4-(2-thienyl)thiazol-2-yl]-8-methoxy-2-(p-tolylimino)chromene-3-carboxamide (2Z)-N-[5-ethyl-4-(2-thienyl)thi…

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) 7.00 12.28 -31.6 1 6 0 77 501.633 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-N-[5-ethyl-4-(2-thienyl)thiazol-2-yl]-6-methoxy-2-(m-tolylimino)chromene-3-carboxamide (2Z)-N-[5-ethyl-4-(2-thienyl)thi…

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) 7.00 11.7 -26.05 1 6 0 77 501.633 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-N-[5-ethyl-4-(2-thienyl)thiazol-2-yl]-8-methoxy-2-(m-tolylimino)chromene-3-carboxamide (2Z)-N-[5-ethyl-4-(2-thienyl)thi…

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) 6.98 12.27 -31.89 1 6 0 77 501.633 6 ↓

Analogs

9059431
9059431

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-6-methoxy-N-[5-methyl-4-(2-thienyl)thiazol-2-yl]-2-phenylimino-chromene-3-carboxamide (2Z)-6-methoxy-N-[5-methyl-4-(2-…

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) 6.01 10.08 -18.66 1 6 0 77 473.579 5 ↓

Analogs

9059432
9059432
9059433
9059433

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-methoxy-N-[5-methyl-4-(2-thienyl)thiazol-2-yl]-2-phenylimino-chromene-3-carboxamide (2Z)-8-methoxy-N-[5-methyl-4-(2-…

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) 5.98 10.65 -23.53 1 6 0 77 473.579 5 ↓

Analogs

9059431
9059431

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-6-methoxy-2-(4-methoxyphenyl)imino-N-[5-methyl-4-(2-thienyl)thiazol-2-yl]chromene-3-carboxamide (2Z)-6-methoxy-2-(4-methoxypheny…

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) 6.06 9.37 -18.6 1 7 0 86 503.605 6 ↓

Parameters Provided:

ring.id = 146493
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 = 146493 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=146493&filter.purchasability=annotated

Embed Link to Results