UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

41587027
41587027
41587032
41587032
41587034
41587034

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Popular Name: (7Z)-9-methyl-3-(p-tolylmethyl)-7-(2-thienylmethylene)-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) 4.97 9.99 -8.99 0 4 0 43 403.503 3 ↓
Lo Low (pH 4.5-6) 4.97 12.85 -49.48 1 4 1 44 404.511 3 ↓

Analogs

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Popular Name: (7Z)-3-[(2-chlorophenyl)methyl]-9-methyl-7-(2-thienylmethylene)-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) 5.15 9.93 -9.85 0 4 0 43 423.921 3 ↓

Analogs

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Popular Name: (7Z)-3-[(4-fluorophenyl)methyl]-9-methyl-7-(2-thienylmethylene)-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) 4.68 9.39 -10.44 0 4 0 43 407.466 3 ↓
Lo Low (pH 4.5-6) 4.68 12.24 -56.03 1 4 1 44 408.474 3 ↓

Analogs

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Popular Name: (7Z)-3-[(4-chlorophenyl)methyl]-9-methyl-7-(2-thienylmethylene)-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) 5.20 9.84 -9.69 0 4 0 43 423.921 3 ↓
Lo Low (pH 4.5-6) 5.20 12.69 -54.96 1 4 1 44 424.929 3 ↓

Analogs

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Popular Name: (7Z)-3-[(3,4-dimethoxyphenyl)methyl]-9-methyl-7-(2-thienylmethylene)-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) 4.17 8.5 -13.12 0 6 0 61 449.528 5 ↓
Lo Low (pH 4.5-6) 4.17 11.38 -57 1 6 1 62 450.536 5 ↓

Analogs

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Popular Name: (7Z)-3-[(2,4-dichlorophenyl)methyl]-9-methyl-7-(2-thienylmethylene)-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) 5.81 10.44 -10.26 0 4 0 43 458.366 3 ↓

Analogs

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Popular Name: (7Z)-3-[(3,4-dichlorophenyl)methyl]-9-methyl-7-(2-thienylmethylene)-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) 5.81 10.29 -10.32 0 4 0 43 458.366 3 ↓
Lo Low (pH 4.5-6) 5.81 13.15 -58.31 1 4 1 44 459.374 3 ↓

Analogs

41587021
41587021

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Popular Name: (7Z)-9-methyl-3-[(1S)-1-phenylethyl]-7-(2-thienylmethylene)-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) 5.08 10.38 -8 0 4 0 43 403.503 3 ↓

Analogs

41587020
41587020

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Popular Name: (7Z)-9-methyl-3-[(1R)-1-phenylethyl]-7-(2-thienylmethylene)-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) 5.08 10.22 -8.44 0 4 0 43 403.503 3 ↓

Analogs

41587032
41587032
41587034
41587034
41587006
41587006

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

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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) 4.52 9.32 -8.98 0 4 0 43 389.476 3 ↓
Lo Low (pH 4.5-6) 4.52 12.17 -49.4 1 4 1 44 390.484 3 ↓

Analogs

41587034
41587034
41587006
41587006
41587027
41587027

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Popular Name: (7Z)-3-[(4-methoxyphenyl)methyl]-9-methyl-7-(2-thienylmethylene)-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) 4.58 8.62 -10.79 0 5 0 52 419.502 4 ↓
Lo Low (pH 4.5-6) 4.58 11.47 -53.07 1 5 1 53 420.51 4 ↓

Analogs

41654025
41654025
41654043
41654043
41654053
41654053
41587006
41587006
41587027
41587027

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Popular Name: (7Z)-3-[(2-methoxyphenyl)methyl]-9-methyl-7-(2-thienylmethylene)-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) 4.53 8.76 -10.08 0 5 0 52 419.502 4 ↓
Lo Low (pH 4.5-6) 4.53 11.64 -45 1 5 1 53 420.51 4 ↓

Analogs

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

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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) 5.35 10.6 -9.11 0 4 0 43 417.53 3 ↓
Lo Low (pH 4.5-6) 5.35 13.46 -49.54 1 4 1 44 418.538 3 ↓

Analogs

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Popular Name: (7Z)-3-[(2-chlorophenyl)methyl]-9-methyl-7-[(3-methyl-2-thienyl)methylene]-2,4-dihydrofuro[3,2-g][1, (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) 5.53 10.56 -10.03 0 4 0 43 437.948 3 ↓
Lo Low (pH 4.5-6) 5.53 13.29 -46.19 1 4 1 44 438.956 3 ↓

Analogs

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Popular Name: (7Z)-3-[(4-fluorophenyl)methyl]-9-methyl-7-[(3-methyl-2-thienyl)methylene]-2,4-dihydrofuro[3,2-g][1, (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) 5.06 9.98 -10.54 0 4 0 43 421.493 3 ↓
Lo Low (pH 4.5-6) 5.06 12.85 -56.14 1 4 1 44 422.501 3 ↓

Analogs

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Popular Name: (7Z)-3-[(4-chlorophenyl)methyl]-9-methyl-7-[(3-methyl-2-thienyl)methylene]-2,4-dihydrofuro[3,2-g][1, (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) 5.58 10.44 -9.81 0 4 0 43 437.948 3 ↓
Lo Low (pH 4.5-6) 5.58 13.3 -55 1 4 1 44 438.956 3 ↓

Analogs

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Popular Name: (7Z)-3-[(3,4-dimethoxyphenyl)methyl]-9-methyl-7-[(3-methyl-2-thienyl)methylene]-2,4-dihydrofuro[3,2- (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) 4.54 9.12 -13.28 0 6 0 61 463.555 5 ↓
Lo Low (pH 4.5-6) 4.54 11.99 -57.17 1 6 1 62 464.563 5 ↓

Analogs

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Popular Name: (7Z)-3-[(2,4-dichlorophenyl)methyl]-9-methyl-7-[(3-methyl-2-thienyl)methylene]-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) 6.18 11.07 -10.57 0 4 0 43 472.393 3 ↓
Lo Low (pH 4.5-6) 6.18 13.81 -51.14 1 4 1 44 473.401 3 ↓

Analogs

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Popular Name: (7Z)-3-[(3,4-dichlorophenyl)methyl]-9-methyl-7-[(3-methyl-2-thienyl)methylene]-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) 6.18 10.89 -10.47 0 4 0 43 472.393 3 ↓
Lo Low (pH 4.5-6) 6.18 13.76 -58.38 1 4 1 44 473.401 3 ↓

Analogs

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Popular Name: (7Z)-9-methyl-7-[(3-methyl-2-thienyl)methylene]-3-[(1S)-1-phenylethyl]-2,4-dihydrofuro[3,2-g][1,3]be (7Z)-9-methyl-7-[(3-methyl-2-thi…

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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) 5.46 10.98 -8.1 0 4 0 43 417.53 3 ↓

Analogs

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Popular Name: (7Z)-9-methyl-7-[(3-methyl-2-thienyl)methylene]-3-[(1R)-1-phenylethyl]-2,4-dihydrofuro[3,2-g][1,3]be (7Z)-9-methyl-7-[(3-methyl-2-thi…

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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) 5.46 10.78 -8.55 0 4 0 43 417.53 3 ↓

Analogs

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Popular Name: (7Z)-3-benzyl-9-methyl-7-[(3-methyl-2-thienyl)methylene]-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6-one (7Z)-3-benzyl-9-methyl-7-[(3-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) 4.90 9.93 -9.08 0 4 0 43 403.503 3 ↓
Lo Low (pH 4.5-6) 4.90 12.78 -49.53 1 4 1 44 404.511 3 ↓

Analogs

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Popular Name: (7Z)-3-[(4-methoxyphenyl)methyl]-9-methyl-7-[(3-methyl-2-thienyl)methylene]-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) 4.96 9.22 -10.87 0 5 0 52 433.529 4 ↓
Lo Low (pH 4.5-6) 4.96 12.08 -53.05 1 5 1 53 434.537 4 ↓

Analogs

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Popular Name: (7Z)-3-[(2-methoxyphenyl)methyl]-9-methyl-7-[(3-methyl-2-thienyl)methylene]-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) 4.91 9.39 -10.25 0 5 0 52 433.529 4 ↓
Lo Low (pH 4.5-6) 4.91 12.25 -45.09 1 5 1 53 434.537 4 ↓

Parameters Provided:

ring.id = 550643
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 = 550643 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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