UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (7Z)-9-methyl-7-[(E)-3-phenylprop-2-enylidene]-3-(p-tolylmethyl)-2,4-dihydrofuro[3,2-g][1,3]benzoxaz (7Z)-9-methyl-7-[(E)-3-phenylpro…

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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) 5.83 12.23 -9.9 0 4 0 43 423.512 4 ↓
Lo Low (pH 4.5-6) 5.83 15.12 -50.41 1 4 1 44 424.52 4 ↓

Analogs

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Popular Name: (7Z)-3-[(2-chlorophenyl)methyl]-9-methyl-7-[(E)-3-phenylprop-2-enylidene]-2,4-dihydrofuro[3,2-g][1,3 (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) 6.01 12.18 -10.83 0 4 0 43 443.93 4 ↓

Analogs

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Popular Name: (7Z)-3-[(4-fluorophenyl)methyl]-9-methyl-7-[(E)-3-phenylprop-2-enylidene]-2,4-dihydrofuro[3,2-g][1,3 (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) 5.54 11.63 -11.41 0 4 0 43 427.475 4 ↓
Lo Low (pH 4.5-6) 5.54 14.5 -56.99 1 4 1 44 428.483 4 ↓

Analogs

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Popular Name: (7Z)-3-[(4-chlorophenyl)methyl]-9-methyl-7-[(E)-3-phenylprop-2-enylidene]-2,4-dihydrofuro[3,2-g][1,3 (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) 6.06 12.08 -10.69 0 4 0 43 443.93 4 ↓
Lo Low (pH 4.5-6) 6.06 14.95 -55.89 1 4 1 44 444.938 4 ↓

Analogs

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Popular Name: (7Z)-3-[(3,4-dimethoxyphenyl)methyl]-9-methyl-7-[(E)-3-phenylprop-2-enylidene]-2,4-dihydrofuro[3,2-g (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) 5.03 10.76 -14.12 0 6 0 61 469.537 6 ↓
Lo Low (pH 4.5-6) 5.03 13.64 -58.02 1 6 1 62 470.545 6 ↓

Analogs

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Popular Name: (7Z)-3-[(2,4-dichlorophenyl)methyl]-9-methyl-7-[(E)-3-phenylprop-2-enylidene]-2,4-dihydrofuro[3,2-g] (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) 6.66 12.69 -11.28 0 4 0 43 478.375 4 ↓

Analogs

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Popular Name: (7Z)-3-[(3,4-dichlorophenyl)methyl]-9-methyl-7-[(E)-3-phenylprop-2-enylidene]-2,4-dihydrofuro[3,2-g] (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) 6.66 12.53 -11.45 0 4 0 43 478.375 4 ↓
Lo Low (pH 4.5-6) 6.66 15.41 -59.24 1 4 1 44 479.383 4 ↓

Analogs

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Popular Name: (7Z)-9-methyl-3-[(1S)-1-phenylethyl]-7-[(E)-3-phenylprop-2-enylidene]-2,4-dihydrofuro[3,2-g][1,3]ben (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) 5.94 12.63 -8.95 0 4 0 43 423.512 4 ↓

Analogs

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Popular Name: (7Z)-9-methyl-3-[(1R)-1-phenylethyl]-7-[(E)-3-phenylprop-2-enylidene]-2,4-dihydrofuro[3,2-g][1,3]ben (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) 5.94 12.46 -9.39 0 4 0 43 423.512 4 ↓

Analogs

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

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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) 5.38 11.56 -9.91 0 4 0 43 409.485 4 ↓
Lo Low (pH 4.5-6) 5.38 14.43 -50.34 1 4 1 44 410.493 4 ↓

Analogs

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Popular Name: (7Z)-3-[(4-methoxyphenyl)methyl]-9-methyl-7-[(E)-3-phenylprop-2-enylidene]-2,4-dihydrofuro[3,2-g][1, (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) 5.44 10.86 -11.79 0 5 0 52 439.511 5 ↓
Lo Low (pH 4.5-6) 5.44 13.73 -53.99 1 5 1 53 440.519 5 ↓

Analogs

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Popular Name: (7Z)-3-[(2-methoxyphenyl)methyl]-9-methyl-7-[(E)-3-phenylprop-2-enylidene]-2,4-dihydrofuro[3,2-g][1, (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) 5.39 11 -11.03 0 5 0 52 439.511 5 ↓
Lo Low (pH 4.5-6) 5.39 13.89 -45.96 1 5 1 53 440.519 5 ↓

Parameters Provided:

ring.id = 550908
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 = 550908 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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