UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

13735207
13735207
13724841
13724841
12442403
12442403

Draw Identity 99% 90% 80% 70%

Popular Name: 3-phenyl-9-(3-phenylpropyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one 3-phenyl-9-(3-phenylpropyl)-8,10…

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) 5.67 12.24 -12.66 0 4 0 43 397.474 5 ↓
Mid Mid (pH 6-8) 5.67 15.11 -47.32 1 4 1 44 398.482 5 ↓

Analogs

13735207
13735207
13722019
13722019

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-chlorophenyl)-9-(3-phenylpropyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one 3-(4-chlorophenyl)-9-(3-phenylpr…

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) 6.35 12.76 -12.16 0 4 0 43 431.919 5 ↓
Mid Mid (pH 6-8) 6.35 15.63 -48 1 4 1 44 432.927 5 ↓

Analogs

13724841
13724841
13728954
13728954
13721459
13721459

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-chlorophenyl)-4-methyl-9-(3-phenylpropyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one 3-(4-chlorophenyl)-4-methyl-9-(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) 6.73 13.18 -12.29 0 4 0 43 445.946 5 ↓
Mid Mid (pH 6-8) 6.73 16.02 -48.1 1 4 1 44 446.954 5 ↓

Analogs

13724841
13724841
13735207
13735207
12442407
12442407

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-methoxyphenyl)-4-methyl-9-(3-phenylpropyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one 3-(4-methoxyphenyl)-4-methyl-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) 6.11 11.96 -13.58 0 5 0 52 441.527 6 ↓
Mid Mid (pH 6-8) 6.11 14.79 -48.88 1 5 1 53 442.535 6 ↓

Analogs

13735207
13735207
13689681
13689681

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(3,4-dimethoxyphenyl)-9-(3-phenylpropyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one 3-(3,4-dimethoxyphenyl)-9-(3-phe…

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) 5.32 11.44 -15.76 0 6 0 61 457.526 7 ↓
Mid Mid (pH 6-8) 5.32 14.27 -51.77 1 6 1 62 458.534 7 ↓

Analogs

13724841
13724841
12442411
12442411
13692461
13692461

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(3,4-dimethoxyphenyl)-4-methyl-9-(3-phenylpropyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one 3-(3,4-dimethoxyphenyl)-4-methyl…

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) 5.70 11.88 -16.49 0 6 0 61 471.553 7 ↓
Mid Mid (pH 6-8) 5.70 14.71 -52.2 1 6 1 62 472.561 7 ↓

Analogs

13735207
13735207
13692004
13692004
12442395
12442395

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2,4-dimethoxyphenyl)-9-(3-phenylpropyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one 3-(2,4-dimethoxyphenyl)-9-(3-phe…

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) 5.71 10.88 -15.17 0 6 0 61 457.526 7 ↓
Mid Mid (pH 6-8) 5.71 13.73 -49.69 1 6 1 62 458.534 7 ↓

Analogs

12442413
12442413
32502125
32502125
12442399
12442399

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2,5-dimethoxyphenyl)-9-(3-phenylpropyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one 3-(2,5-dimethoxyphenyl)-9-(3-phe…

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) 5.71 10.87 -15.1 0 6 0 61 457.526 7 ↓
Mid Mid (pH 6-8) 5.71 13.72 -48.93 1 6 1 62 458.534 7 ↓

Parameters Provided:

ring.id = 564630
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 = 564630 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=564630&filter.purchasability=annotated

Embed Link to Results