UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

13718348
13718348
12442387
12442387
12442391
12442391

Draw Identity 99% 90% 80% 70%

Popular Name: 9-cyclohexyl-4-(2-oxochromen-3-yl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one 9-cyclohexyl-4-(2-oxochromen-3-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) 5.26 11.18 -14.12 0 6 0 73 429.472 2 ↓
Mid Mid (pH 6-8) 5.26 14.17 -44.93 1 6 1 74 430.48 2 ↓

Analogs

13728954
13728954
12442387
12442387
12442391
12442391

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(6-chloro-2-oxo-chromen-3-yl)-9-cyclohexyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one 4-(6-chloro-2-oxo-chromen-3-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) 5.91 11.69 -12.35 0 6 0 73 463.917 2 ↓
Mid Mid (pH 6-8) 5.91 14.68 -43.84 1 6 1 74 464.925 2 ↓

Analogs

8789573
8789573

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(6-bromo-2-oxo-chromen-3-yl)-9-cyclohexyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one 4-(6-bromo-2-oxo-chromen-3-yl)-9…

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) 6.04 11.79 -12.13 0 6 0 73 508.368 2 ↓
Mid Mid (pH 6-8) 6.04 14.78 -43.79 1 6 1 74 509.376 2 ↓

Analogs

13718348
13718348
12442387
12442387
12442391
12442391

Draw Identity 99% 90% 80% 70%

Popular Name: 9-cyclohexyl-4-(8-methoxy-2-oxo-chromen-3-yl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one 9-cyclohexyl-4-(8-methoxy-2-oxo-…

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) 5.27 10.87 -17.41 0 7 0 82 459.498 3 ↓
Mid Mid (pH 6-8) 5.27 13.87 -48.23 1 7 1 83 460.506 3 ↓

Analogs

13718348
13718348
12442387
12442387
12442391
12442391

Draw Identity 99% 90% 80% 70%

Popular Name: 9-cyclohexyl-4-(8-ethoxy-2-oxo-chromen-3-yl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one 9-cyclohexyl-4-(8-ethoxy-2-oxo-c…

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) 5.64 11.79 -17.38 0 7 0 82 473.525 4 ↓
Mid Mid (pH 6-8) 5.64 14.8 -48.2 1 7 1 83 474.533 4 ↓

Parameters Provided:

ring.id = 564334
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 = 564334 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=564334&filter.purchasability=annotated

Embed Link to Results