UCSF
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Analogs

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Popular Name: (7Z)-9-methyl-3-(p-tolylmethyl)-7-(2-pyridylmethylene)-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6-one (7Z)-9-methyl-3-(p-tolylmethyl)-…

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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) 3.90 9.55 -11.82 0 5 0 56 398.462 3 ↓
Lo Low (pH 4.5-6) 3.90 12.44 -52.01 1 5 1 57 399.47 3 ↓

Analogs

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Popular Name: (7Z)-3-[(2-chlorophenyl)methyl]-9-methyl-7-(2-pyridylmethylene)-2,4-dihydrofuro[3,2-g][1,3]benzoxazi (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) 4.08 9.5 -12.57 0 5 0 56 418.88 3 ↓

Analogs

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Popular Name: (7Z)-3-[(4-fluorophenyl)methyl]-9-methyl-7-(2-pyridylmethylene)-2,4-dihydrofuro[3,2-g][1,3]benzoxazi (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) 3.62 8.95 -13.31 0 5 0 56 402.425 3 ↓
Lo Low (pH 4.5-6) 3.62 11.82 -58.61 1 5 1 57 403.433 3 ↓

Analogs

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Popular Name: (7Z)-3-[(4-chlorophenyl)methyl]-9-methyl-7-(2-pyridylmethylene)-2,4-dihydrofuro[3,2-g][1,3]benzoxazi (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) 4.13 9.41 -12.56 0 5 0 56 418.88 3 ↓
Lo Low (pH 4.5-6) 4.13 12.27 -57.49 1 5 1 57 419.888 3 ↓

Analogs

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Popular Name: (7Z)-3-[(3,4-dimethoxyphenyl)methyl]-9-methyl-7-(2-pyridylmethylene)-2,4-dihydrofuro[3,2-g][1,3]benz (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) 3.10 8.07 -16 0 7 0 74 444.487 5 ↓
Lo Low (pH 4.5-6) 3.10 10.96 -59.68 1 7 1 75 445.495 5 ↓

Analogs

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Popular Name: (7Z)-3-[(2,4-dichlorophenyl)methyl]-9-methyl-7-(2-pyridylmethylene)-2,4-dihydrofuro[3,2-g][1,3]benzo (7Z)-3-[(2,4-dichlorophenyl)meth…

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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) 4.74 10.01 -13.12 0 5 0 56 453.325 3 ↓

Analogs

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Popular Name: (7Z)-3-[(3,4-dichlorophenyl)methyl]-9-methyl-7-(2-pyridylmethylene)-2,4-dihydrofuro[3,2-g][1,3]benzo (7Z)-3-[(3,4-dichlorophenyl)meth…

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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) 4.74 9.85 -13.23 0 5 0 56 453.325 3 ↓
Lo Low (pH 4.5-6) 4.74 12.73 -60.88 1 5 1 57 454.333 3 ↓

Analogs

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Popular Name: (7Z)-9-methyl-3-[(1S)-1-phenylethyl]-7-(2-pyridylmethylene)-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6- (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) 4.01 9.95 -10.75 0 5 0 56 398.462 3 ↓

Analogs

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Popular Name: (7Z)-9-methyl-3-[(1R)-1-phenylethyl]-7-(2-pyridylmethylene)-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6- (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) 4.01 9.78 -11.07 0 5 0 56 398.462 3 ↓

Analogs

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

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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) 3.45 8.89 -11.76 0 5 0 56 384.435 3 ↓
Lo Low (pH 4.5-6) 3.45 11.75 -51.94 1 5 1 57 385.443 3 ↓

Analogs

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Popular Name: (7Z)-3-[(4-methoxyphenyl)methyl]-9-methyl-7-(2-pyridylmethylene)-2,4-dihydrofuro[3,2-g][1,3]benzoxaz (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) 3.51 8.19 -13.64 0 6 0 65 414.461 4 ↓
Lo Low (pH 4.5-6) 3.51 11.05 -55.56 1 6 1 66 415.469 4 ↓

Analogs

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Popular Name: (7Z)-3-[(2-methoxyphenyl)methyl]-9-methyl-7-(2-pyridylmethylene)-2,4-dihydrofuro[3,2-g][1,3]benzoxaz (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) 3.46 8.34 -12.89 0 6 0 65 414.461 4 ↓
Lo Low (pH 4.5-6) 3.46 11.22 -47.52 1 6 1 66 415.469 4 ↓

Parameters Provided:

ring.id = 551169
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 = 551169 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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