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Analogs

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Popular Name: (7Z)-9-methyl-7-[(4-phenylphenyl)methylene]-3-(p-tolylmethyl)-2,4-dihydrofuro[3,2-g][1,3]benzoxazin- (7Z)-9-methyl-7-[(4-phenylphenyl…

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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) 6.87 14.36 -10.1 0 4 0 43 473.572 4 ↓
Lo Low (pH 4.5-6) 6.87 17.25 -51.23 1 4 1 44 474.58 4 ↓

Analogs

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Popular Name: (7Z)-3-[(2-chlorophenyl)methyl]-9-methyl-7-[(4-phenylphenyl)methylene]-2,4-dihydrofuro[3,2-g][1,3]be (7Z)-3-[(2-chlorophenyl)methyl]-…

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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) 7.05 14.29 -11.01 0 4 0 43 493.99 4 ↓

Analogs

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Popular Name: (7Z)-3-[(4-fluorophenyl)methyl]-9-methyl-7-[(4-phenylphenyl)methylene]-2,4-dihydrofuro[3,2-g][1,3]be (7Z)-3-[(4-fluorophenyl)methyl]-…

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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) 6.58 13.76 -11.62 0 4 0 43 477.535 4 ↓
Lo Low (pH 4.5-6) 6.58 16.63 -57.82 1 4 1 44 478.543 4 ↓

Analogs

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Popular Name: (7Z)-3-[(4-chlorophenyl)methyl]-9-methyl-7-[(4-phenylphenyl)methylene]-2,4-dihydrofuro[3,2-g][1,3]be (7Z)-3-[(4-chlorophenyl)methyl]-…

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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) 7.10 14.21 -10.92 0 4 0 43 493.99 4 ↓
Lo Low (pH 4.5-6) 7.10 17.08 -56.68 1 4 1 44 494.998 4 ↓

Analogs

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Popular Name: (7Z)-3-[(3,4-dimethoxyphenyl)methyl]-9-methyl-7-[(4-phenylphenyl)methylene]-2,4-dihydrofuro[3,2-g][1 (7Z)-3-[(3,4-dimethoxyphenyl)met…

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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) 6.06 12.88 -14.41 0 6 0 61 519.597 6 ↓
Lo Low (pH 4.5-6) 6.06 15.77 -58.82 1 6 1 62 520.605 6 ↓

Analogs

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Popular Name: (7Z)-9-methyl-3-[(1S)-1-phenylethyl]-7-[(4-phenylphenyl)methylene]-2,4-dihydrofuro[3,2-g][1,3]benzox (7Z)-9-methyl-3-[(1S)-1-phenylet…

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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) 6.98 14.76 -9.23 0 4 0 43 473.572 4 ↓
Lo Low (pH 4.5-6) 6.98 17.22 -47.05 1 4 1 44 474.58 4 ↓

Analogs

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Popular Name: (7Z)-9-methyl-3-[(1R)-1-phenylethyl]-7-[(4-phenylphenyl)methylene]-2,4-dihydrofuro[3,2-g][1,3]benzox (7Z)-9-methyl-3-[(1R)-1-phenylet…

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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) 6.98 14.51 -9.53 0 4 0 43 473.572 4 ↓
Lo Low (pH 4.5-6) 6.98 17.2 -47.06 1 4 1 44 474.58 4 ↓

Analogs

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Popular Name: (7Z)-3-benzyl-9-methyl-7-[(4-phenylphenyl)methylene]-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6-one (7Z)-3-benzyl-9-methyl-7-[(4-phe…

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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) 6.42 13.69 -10.21 0 4 0 43 459.545 4 ↓
Lo Low (pH 4.5-6) 6.42 16.56 -51.21 1 4 1 44 460.553 4 ↓

Analogs

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

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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) 6.47 12.99 -12.03 0 5 0 52 489.571 5 ↓
Lo Low (pH 4.5-6) 6.47 15.86 -54.8 1 5 1 53 490.579 5 ↓

Analogs

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

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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) 6.43 13.13 -11.26 0 5 0 52 489.571 5 ↓
Lo Low (pH 4.5-6) 6.43 16.01 -46.77 1 5 1 53 490.579 5 ↓

Parameters Provided:

ring.id = 550945
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 = 550945 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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