UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

41587990
41587990
41588009
41588009
41588013
41588013

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Popular Name: (7Z)-9-methyl-3-(p-tolylmethyl)-7-(4-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) 3.78 9.19 -9.82 0 5 0 56 398.462 3 ↓
Lo Low (pH 4.5-6) 3.78 9.67 -40.86 1 5 1 57 399.47 3 ↓

Analogs

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Popular Name: (7Z)-3-[(2-chlorophenyl)methyl]-9-methyl-7-(4-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) 3.96 9.21 -10.59 0 5 0 56 418.88 3 ↓
Lo Low (pH 4.5-6) 3.96 9.68 -41.32 1 5 1 57 419.888 3 ↓

Analogs

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Popular Name: (7Z)-3-[(4-fluorophenyl)methyl]-9-methyl-7-(4-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) 3.50 8.6 -11.36 0 5 0 56 402.425 3 ↓
Lo Low (pH 4.5-6) 3.50 9.07 -42.39 1 5 1 57 403.433 3 ↓

Analogs

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Popular Name: (7Z)-3-[(4-chlorophenyl)methyl]-9-methyl-7-(4-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) 4.01 9.05 -10.63 0 5 0 56 418.88 3 ↓
Lo Low (pH 4.5-6) 4.01 9.52 -41.62 1 5 1 57 419.888 3 ↓

Analogs

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Popular Name: (7Z)-3-[(3,4-dimethoxyphenyl)methyl]-9-methyl-7-(4-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) 2.98 7.71 -14.09 0 7 0 74 444.487 5 ↓
Lo Low (pH 4.5-6) 2.98 8.19 -45.13 1 7 1 75 445.495 5 ↓

Analogs

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Popular Name: (7Z)-3-[(2,4-dichlorophenyl)methyl]-9-methyl-7-(4-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) 4.62 9.71 -11.05 0 5 0 56 453.325 3 ↓
Lo Low (pH 4.5-6) 4.62 10.18 -41.82 1 5 1 57 454.333 3 ↓

Analogs

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Popular Name: (7Z)-3-[(3,4-dichlorophenyl)methyl]-9-methyl-7-(4-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) 4.62 9.5 -11.4 0 5 0 56 453.325 3 ↓
Lo Low (pH 4.5-6) 4.62 9.97 -42.21 1 5 1 57 454.333 3 ↓

Analogs

41587971
41587971

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Popular Name: (7Z)-9-methyl-3-[(1S)-1-phenylethyl]-7-(4-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) 3.89 9.59 -8.83 0 5 0 56 398.462 3 ↓
Lo Low (pH 4.5-6) 3.89 10.07 -39.84 1 5 1 57 399.47 3 ↓

Analogs

41587969
41587969

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Popular Name: (7Z)-9-methyl-3-[(1R)-1-phenylethyl]-7-(4-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) 3.89 9.43 -9.12 0 5 0 56 398.462 3 ↓
Lo Low (pH 4.5-6) 3.89 9.91 -40.61 1 5 1 57 399.47 3 ↓

Analogs

41588002
41588002
41588009
41588009
41588013
41588013
41587944
41587944

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Popular Name: (7Z)-3-benzyl-9-methyl-7-(4-pyridylmethylene)-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6-one (7Z)-3-benzyl-9-methyl-7-(4-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) 3.33 8.53 -9.78 0 5 0 56 384.435 3 ↓
Lo Low (pH 4.5-6) 3.33 9 -40.85 1 5 1 57 385.443 3 ↓

Analogs

41588013
41588013
41587944
41587944
41587990
41587990
41588002
41588002

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Popular Name: (7Z)-3-[(4-methoxyphenyl)methyl]-9-methyl-7-(4-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) 3.39 7.83 -11.64 0 6 0 65 414.461 4 ↓
Lo Low (pH 4.5-6) 3.39 8.3 -42.69 1 6 1 66 415.469 4 ↓

Analogs

41658839
41658839
13735017
13735017
41587944
41587944
41587990
41587990
41588009
41588009

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Popular Name: (7Z)-3-[(2-methoxyphenyl)methyl]-9-methyl-7-(4-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) 3.34 7.92 -10.81 0 6 0 65 414.461 4 ↓
Lo Low (pH 4.5-6) 3.34 8.4 -41.81 1 6 1 66 415.469 4 ↓

Parameters Provided:

ring.id = 550819
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 = 550819 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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