UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

41586991
41586991
41587001
41587001
41587003
41587003

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Popular Name: (7Z)-9-methyl-3-(p-tolylmethyl)-7-(3-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) 3.84 9.19 -9.7 0 5 0 56 398.462 3 ↓
Lo Low (pH 4.5-6) 3.84 12.08 -51.62 1 5 1 57 399.47 3 ↓

Analogs

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Popular Name: (7Z)-3-[(2-chlorophenyl)methyl]-9-methyl-7-(3-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) 4.02 9.12 -10.53 0 5 0 56 418.88 3 ↓

Analogs

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Popular Name: (7Z)-3-[(4-fluorophenyl)methyl]-9-methyl-7-(3-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) 3.55 8.59 -11.2 0 5 0 56 402.425 3 ↓
Lo Low (pH 4.5-6) 3.55 11.46 -58.29 1 5 1 57 403.433 3 ↓

Analogs

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Popular Name: (7Z)-3-[(4-chlorophenyl)methyl]-9-methyl-7-(3-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) 4.06 9.04 -10.54 0 5 0 56 418.88 3 ↓
Lo Low (pH 4.5-6) 4.06 11.91 -57.19 1 5 1 57 419.888 3 ↓

Analogs

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Popular Name: (7Z)-3-[(3,4-dimethoxyphenyl)methyl]-9-methyl-7-(3-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) 3.03 7.71 -13.94 0 7 0 74 444.487 5 ↓
Lo Low (pH 4.5-6) 3.03 10.6 -59.34 1 7 1 75 445.495 5 ↓

Analogs

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Popular Name: (7Z)-3-[(2,4-dichlorophenyl)methyl]-9-methyl-7-(3-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) 4.67 9.63 -10.99 0 5 0 56 453.325 3 ↓

Analogs

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Popular Name: (7Z)-3-[(3,4-dichlorophenyl)methyl]-9-methyl-7-(3-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) 4.67 9.49 -11.21 0 5 0 56 453.325 3 ↓
Lo Low (pH 4.5-6) 4.67 12.37 -60.55 1 5 1 57 454.333 3 ↓

Analogs

41586981
41586981

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Popular Name: (7Z)-9-methyl-3-[(1S)-1-phenylethyl]-7-(3-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) 3.94 9.58 -8.75 0 5 0 56 398.462 3 ↓

Analogs

41586980
41586980

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Popular Name: (7Z)-9-methyl-3-[(1R)-1-phenylethyl]-7-(3-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) 3.94 9.39 -9.08 0 5 0 56 398.462 3 ↓

Analogs

41587001
41587001
41587003
41587003
41586966
41586966

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Popular Name: (7Z)-3-benzyl-9-methyl-7-(3-pyridylmethylene)-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6-one (7Z)-3-benzyl-9-methyl-7-(3-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) 3.39 8.52 -9.69 0 5 0 56 384.435 3 ↓
Lo Low (pH 4.5-6) 3.39 11.39 -51.6 1 5 1 57 385.443 3 ↓

Analogs

41586966
41586966
41586991
41586991

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Popular Name: (7Z)-3-[(4-methoxyphenyl)methyl]-9-methyl-7-(3-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) 3.44 7.82 -11.54 0 6 0 65 414.461 4 ↓
Lo Low (pH 4.5-6) 3.44 10.69 -55.23 1 6 1 66 415.469 4 ↓

Analogs

13722697
13722697
41586966
41586966
41586991
41586991

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Popular Name: (7Z)-3-[(2-methoxyphenyl)methyl]-9-methyl-7-(3-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) 3.40 7.96 -10.82 0 6 0 65 414.461 4 ↓
Lo Low (pH 4.5-6) 3.40 10.85 -47.23 1 6 1 66 415.469 4 ↓

Parameters Provided:

ring.id = 550621
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 = 550621 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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