UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

13718348
13718348
13684334
13684334

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Popular Name: 9-cyclohexyl-3-phenyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one 9-cyclohexyl-3-phenyl-8,10-dihyd…

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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) 5.25 9.91 -11.09 0 4 0 43 361.441 2 ↓
Mid Mid (pH 6-8) 5.25 12.89 -41.55 1 4 1 44 362.449 2 ↓

Analogs

12442387
12442387
12442391
12442391
13724841
13724841

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Popular Name: 9-cyclohexyl-4-methyl-3-phenyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one 9-cyclohexyl-4-methyl-3-phenyl-8…

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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) 5.63 10.33 -11.52 0 4 0 43 375.468 2 ↓
Mid Mid (pH 6-8) 5.63 13.32 -41.94 1 4 1 44 376.476 2 ↓

Analogs

13722019
13722019
13718348
13718348

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

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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) 5.93 10.43 -10.55 0 4 0 43 395.886 2 ↓
Mid Mid (pH 6-8) 5.93 13.42 -42.27 1 4 1 44 396.894 2 ↓

Analogs

13728954
13728954
12442387
12442387
12442391
12442391

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

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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) 6.31 10.85 -10.76 0 4 0 43 409.913 2 ↓
Mid Mid (pH 6-8) 6.31 13.84 -42.38 1 4 1 44 410.921 2 ↓

Analogs

13718348
13718348
12442389
12442389
13684334
13684334

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

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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) 5.31 9.22 -11.76 0 5 0 52 391.467 3 ↓
Mid Mid (pH 6-8) 5.31 12.21 -42.88 1 5 1 53 392.475 3 ↓

Analogs

12442391
12442391
12442387
12442387
13718348
13718348

Draw Identity 99% 90% 80% 70%

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

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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) 5.69 9.63 -12.06 0 5 0 52 405.494 3 ↓
Mid Mid (pH 6-8) 5.69 12.61 -43.07 1 5 1 53 406.502 3 ↓

Analogs

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

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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) 4.90 9.11 -14.19 0 6 0 61 421.493 4 ↓
Mid Mid (pH 6-8) 4.90 12.1 -46.03 1 6 1 62 422.501 4 ↓

Analogs

13692461
13692461
12442411
12442411
13685167
13685167

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

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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) 5.28 9.55 -14.91 0 6 0 61 435.52 4 ↓
Mid Mid (pH 6-8) 5.28 12.53 -46.43 1 6 1 62 436.528 4 ↓

Analogs

13692004
13692004
13718348
13718348
12442395
12442395

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

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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) 5.30 8.56 -13.69 0 6 0 61 421.493 4 ↓
Mid Mid (pH 6-8) 5.30 11.54 -43.95 1 6 1 62 422.501 4 ↓

Analogs

32502125
32502125
12442399
12442399
12442413
12442413

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

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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) 5.30 8.54 -13.47 0 6 0 61 421.493 4 ↓
Mid Mid (pH 6-8) 5.30 11.52 -43.2 1 6 1 62 422.501 4 ↓

Parameters Provided:

ring.id = 564644
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 = 564644 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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