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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12442578
12442578
28541897
28541897
12442511
12442511

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Popular Name: (2E)-8-[2-(4-fluorophenyl)ethyl]-4-methyl-2-[(4-phenylphenyl)methylene]-7,9-dihydrofuro[2,3-f][1,3]b (2E)-8-[2-(4-fluorophenyl)ethyl]…

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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) 6.99 14.37 -11.41 0 4 0 43 491.562 5 ↓
Lo Low (pH 4.5-6) 6.99 17.22 -56.92 1 4 1 44 492.57 5 ↓

Analogs

12442578
12442578
12442513
12442513
12442511
12442511

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Popular Name: (2E)-8-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-[(4-phenylphenyl)methylene]-7,9-dihydrofuro[2,3-f][1,3] (2E)-8-[2-(4-methoxyphenyl)ethyl…

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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) 6.88 13.6 -11.67 0 5 0 52 503.598 6 ↓
Mid Mid (pH 6-8) 6.88 16.45 -54.36 1 5 1 53 504.606 6 ↓

Analogs

12442511
12442511
12442513
12442513
12442578
12442578

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Popular Name: (2E)-8-[2-(4-chlorophenyl)ethyl]-4-methyl-2-[(4-phenylphenyl)methylene]-7,9-dihydrofuro[2,3-f][1,3]b (2E)-8-[2-(4-chlorophenyl)ethyl]…

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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) 7.50 14.83 -10.69 0 4 0 43 508.017 5 ↓
Lo Low (pH 4.5-6) 7.50 17.67 -55.61 1 4 1 44 509.025 5 ↓

Analogs

28541897
28541897
12442511
12442511
12442513
12442513

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Popular Name: (2Z)-8-[2-(2-chlorophenyl)ethyl]-4-methyl-2-[(4-phenylphenyl)methylene]-7,9-dihydrofuro[2,3-f][1,3]b (2Z)-8-[2-(2-chlorophenyl)ethyl]…

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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) 7.45 14.88 -10.68 0 4 0 43 508.017 5 ↓
Lo Low (pH 4.5-6) 7.45 17.74 -50.67 1 4 1 44 509.025 5 ↓

Analogs

12442578
12442578

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[2-(2-methoxyphenyl)ethyl]-4-methyl-2-[(4-phenylphenyl)methylene]-7,9-dihydrofuro[2,3-f][1,3] (2Z)-8-[2-(2-methoxyphenyl)ethyl…

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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) 6.83 13.83 -11.18 0 5 0 52 503.598 6 ↓
Lo Low (pH 4.5-6) 6.83 16.69 -49.78 1 5 1 53 504.606 6 ↓

Analogs

20648057
20648057
8993131
8993131
12442516
12442516

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Popular Name: (2Z)-8-[2-(4-fluorophenyl)ethyl]-2-[(4-phenylphenyl)methylene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin (2Z)-8-[2-(4-fluorophenyl)ethyl]…

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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) 6.61 13.89 -11.17 0 4 0 43 477.535 5 ↓
Lo Low (pH 4.5-6) 6.61 16.74 -59.23 1 4 1 44 478.543 5 ↓

Analogs

13692667
13692667
13728434
13728434

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Popular Name: (2Z)-8-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-phenylphenyl)methylene]-7,9-dihydrofuro[2,3-f][1,3]benzo (2Z)-8-[2-(3,4-dimethoxyphenyl)e…

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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) 6.09 13.01 -14.08 0 6 0 61 519.597 7 ↓
Lo Low (pH 4.5-6) 6.09 15.86 -60.84 1 6 1 62 520.605 7 ↓

Analogs

12442693
12442693
12442691
12442691

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[2-(4-methoxyphenyl)ethyl]-2-[(4-phenylphenyl)methylene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazi (2Z)-8-[2-(4-methoxyphenyl)ethyl…

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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) 6.50 13.11 -11.44 0 5 0 52 489.571 6 ↓
Lo Low (pH 4.5-6) 6.50 15.96 -56.44 1 5 1 53 490.579 6 ↓

Analogs

12442693
12442693
12442691
12442691

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[2-(4-chlorophenyl)ethyl]-2-[(4-phenylphenyl)methylene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin (2Z)-8-[2-(4-chlorophenyl)ethyl]…

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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) 7.12 14.34 -10.46 0 4 0 43 493.99 5 ↓
Lo Low (pH 4.5-6) 7.12 17.19 -57.85 1 4 1 44 494.998 5 ↓

Analogs

12442691
12442691
12442693
12442693

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[2-(2-chlorophenyl)ethyl]-2-[(4-phenylphenyl)methylene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin (2Z)-8-[2-(2-chlorophenyl)ethyl]…

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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) 7.08 14.22 -10.65 0 4 0 43 493.99 5 ↓

Analogs

12442691
12442691
12442693
12442693

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[2-(2-methoxyphenyl)ethyl]-2-[(4-phenylphenyl)methylene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazi (2Z)-8-[2-(2-methoxyphenyl)ethyl…

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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) 6.46 13.17 -11.18 0 5 0 52 489.571 6 ↓
Lo Low (pH 4.5-6) 6.46 16.03 -50.4 1 5 1 53 490.579 6 ↓

Parameters Provided:

ring.id = 561468
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 = 561468 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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