UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (2Z)-8-cyclopropyl-2-[[4-(diethylamino)phenyl]methylene]-4-methyl-7,9-dihydrofuro[2,3-f][1,3]benzoxa (2Z)-8-cyclopropyl-2-[[4-(diethy…

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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) 4.44 10.28 -48.07 1 5 0 47 405.518 5 ↓
Mid Mid (pH 6-8) 4.44 13.26 -103.83 2 5 0 48 406.526 5 ↓
Mid Mid (pH 6-8) 4.44 10.18 -8.43 0 5 0 46 404.51 5 ↓

Analogs

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Popular Name: (2Z)-8-cyclopropyl-2-[[4-(diethylamino)phenyl]methylene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-8-cyclopropyl-2-[[4-(diethy…

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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) 4.07 9.63 -49.27 1 5 0 47 391.491 5 ↓
Mid Mid (pH 6-8) 4.07 9.53 -8.45 0 5 0 46 390.483 5 ↓
Lo Low (pH 4.5-6) 4.07 12.59 -111.22 2 5 0 48 392.499 5 ↓

Analogs

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Popular Name: (2Z)-8-cyclopropyl-4-methyl-2-(p-tolylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-8-cyclopropyl-4-methyl-2-(p…

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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) 4.04 8.55 -7.52 0 4 0 43 347.414 2 ↓
Mid Mid (pH 6-8) 4.04 11.53 -42.03 1 4 1 44 348.422 2 ↓

Analogs

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Popular Name: (2Z)-8-cyclopropyl-2-[(4-fluorophenyl)methylene]-4-methyl-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-on (2Z)-8-cyclopropyl-2-[(4-fluorop…

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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) 3.75 7.96 -7.56 0 4 0 43 351.377 2 ↓
Mid Mid (pH 6-8) 3.75 10.92 -42.84 1 4 1 44 352.385 2 ↓

Analogs

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Popular Name: (2Z)-2-[(4-chlorophenyl)methylene]-8-cyclopropyl-4-methyl-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-on (2Z)-2-[(4-chlorophenyl)methylen…

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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) 4.27 8.4 -7.05 0 4 0 43 367.832 2 ↓
Mid Mid (pH 6-8) 4.27 11.36 -42.36 1 4 1 44 368.84 2 ↓

Analogs

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Popular Name: (2Z)-8-cyclopropyl-2-[(2,4-dichlorophenyl)methylene]-4-methyl-7,9-dihydrofuro[2,3-f][1,3]benzoxazin- (2Z)-8-cyclopropyl-2-[(2,4-dichl…

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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) 4.87 8.82 -5.96 0 4 0 43 402.277 2 ↓
Mid Mid (pH 6-8) 4.87 11.8 -44.38 1 4 1 44 403.285 2 ↓

Analogs

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Popular Name: (2Z)-2-[(2-chlorophenyl)methylene]-8-cyclopropyl-4-methyl-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-on (2Z)-2-[(2-chlorophenyl)methylen…

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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) 4.22 8.32 -7.59 0 4 0 43 367.832 2 ↓
Mid Mid (pH 6-8) 4.22 11.28 -44.83 1 4 1 44 368.84 2 ↓

Analogs

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Popular Name: (2Z)-8-cyclopropyl-2-[(2-fluorophenyl)methylene]-4-methyl-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-on (2Z)-8-cyclopropyl-2-[(2-fluorop…

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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) 3.70 7.93 -8.14 0 4 0 43 351.377 2 ↓
Mid Mid (pH 6-8) 3.70 10.89 -45.71 1 4 1 44 352.385 2 ↓

Analogs

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Popular Name: (2Z)-8-cyclopropyl-2-[(2-methoxyphenyl)methylene]-4-methyl-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-o (2Z)-8-cyclopropyl-2-[(2-methoxy…

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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) 3.60 7.24 -9.01 0 5 0 52 363.413 3 ↓
Mid Mid (pH 6-8) 3.60 10.2 -44.31 1 5 1 53 364.421 3 ↓

Analogs

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Popular Name: (2Z)-2-[(2-chloro-6-fluoro-phenyl)methylene]-8-cyclopropyl-4-methyl-7,9-dihydrofuro[2,3-f][1,3]benzo (2Z)-2-[(2-chloro-6-fluoro-pheny…

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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) 4.34 8.38 -8.88 0 4 0 43 385.822 2 ↓
Mid Mid (pH 6-8) 4.34 11.35 -41.46 1 4 1 44 386.83 2 ↓

Analogs

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Popular Name: (2Z)-8-cyclopropyl-2-[(2,4-dimethoxyphenyl)methylene]-4-methyl-7,9-dihydrofuro[2,3-f][1,3]benzoxazin (2Z)-8-cyclopropyl-2-[(2,4-dimet…

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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) 3.63 6.53 -9.46 0 6 0 61 393.439 4 ↓
Mid Mid (pH 6-8) 3.63 9.51 -46.16 1 6 1 62 394.447 4 ↓

Analogs

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Popular Name: (2Z)-8-cyclopropyl-2-[(2,5-dimethoxyphenyl)methylene]-4-methyl-7,9-dihydrofuro[2,3-f][1,3]benzoxazin (2Z)-8-cyclopropyl-2-[(2,5-dimet…

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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) 3.63 6.52 -9.97 0 6 0 61 393.439 4 ↓
Mid Mid (pH 6-8) 3.63 9.5 -41.79 1 6 1 62 394.447 4 ↓

Analogs

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Popular Name: (2Z)-8-cyclopropyl-2-[(4-isopropylphenyl)methylene]-4-methyl-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3 (2Z)-8-cyclopropyl-2-[(4-isoprop…

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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) 5.10 9.79 -7.16 0 4 0 43 375.468 3 ↓
Mid Mid (pH 6-8) 5.10 12.76 -42.07 1 4 1 44 376.476 3 ↓

Analogs

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Popular Name: (2Z)-8-cyclopropyl-4-methyl-2-[(3-nitrophenyl)methylene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-8-cyclopropyl-4-methyl-2-[(…

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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) 3.52 8.59 -10.16 0 7 0 89 378.384 3 ↓
Mid Mid (pH 6-8) 3.52 11.57 -51.37 1 7 1 90 379.392 3 ↓

Analogs

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Popular Name: methyl 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) 3.76 8.52 -9.89 0 6 0 69 391.423 4 ↓
Mid Mid (pH 6-8) 3.76 11.5 -43.8 1 6 1 70 392.431 4 ↓

Analogs

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Popular Name: (2Z)-8-cyclopropyl-2-[(2,6-dichlorophenyl)methylene]-4-methyl-7,9-dihydrofuro[2,3-f][1,3]benzoxazin- (2Z)-8-cyclopropyl-2-[(2,6-dichl…

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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) 4.85 8.92 -8 0 4 0 43 402.277 2 ↓
Mid Mid (pH 6-8) 4.85 11.73 -40.39 1 4 1 44 403.285 2 ↓

Analogs

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Popular Name: (2Z)-8-cyclopropyl-2-[(4-ethoxyphenyl)methylene]-4-methyl-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-on (2Z)-8-cyclopropyl-2-[(4-ethoxyp…

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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 8.12 -8.43 0 5 0 52 377.44 4 ↓
Mid Mid (pH 6-8) 4.02 11.08 -44.33 1 5 1 53 378.448 4 ↓

Analogs

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Popular Name: (2Z)-8-cyclopropyl-2-[(2-ethoxyphenyl)methylene]-4-methyl-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-on (2Z)-8-cyclopropyl-2-[(2-ethoxyp…

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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) 3.97 8.19 -8.71 0 5 0 52 377.44 4 ↓
Mid Mid (pH 6-8) 3.97 11.16 -44.24 1 5 1 53 378.448 4 ↓

Analogs

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Popular Name: (2Z)-8-cyclopropyl-2-[(4-methoxyphenyl)methylene]-4-methyl-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-o (2Z)-8-cyclopropyl-2-[(4-methoxy…

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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) 3.65 7.19 -8.59 0 5 0 52 363.413 3 ↓
Mid Mid (pH 6-8) 3.65 10.16 -44.37 1 5 1 53 364.421 3 ↓

Analogs

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Popular Name: (2Z)-8-cyclopropyl-2-[(3-methoxyphenyl)methylene]-4-methyl-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-o (2Z)-8-cyclopropyl-2-[(3-methoxy…

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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 7.18 -9.27 0 5 0 52 363.413 3 ↓
Mid Mid (pH 6-8) 3.62 10.15 -40.03 1 5 1 53 364.421 3 ↓

Analogs

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Popular Name: (2Z)-2-benzylidene-8-cyclopropyl-4-methyl-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-2-benzylidene-8-cyclopropyl…

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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) 3.59 7.88 -7.55 0 4 0 43 333.387 2 ↓
Mid Mid (pH 6-8) 3.59 10.84 -42.07 1 4 1 44 334.395 2 ↓

Analogs

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Popular Name: (2Z)-8-cyclopropyl-4-methyl-2-[(2,4,5-trimethoxyphenyl)methylene]-7,9-dihydrofuro[2,3-f][1,3]benzoxa (2Z)-8-cyclopropyl-4-methyl-2-[(…

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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) 3.22 6.41 -11.45 0 7 0 70 423.465 5 ↓
Mid Mid (pH 6-8) 3.22 9.45 -47.17 1 7 1 72 424.473 5 ↓

Analogs

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Popular Name: (2Z)-2-[(5-bromo-2-methoxy-phenyl)methylene]-8-cyclopropyl-4-methyl-7,9-dihydrofuro[2,3-f][1,3]benzo (2Z)-2-[(5-bromo-2-methoxy-pheny…

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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) 4.38 7.85 -8.17 0 5 0 52 442.309 3 ↓
Mid Mid (pH 6-8) 4.38 10.83 -40.81 1 5 1 53 443.317 3 ↓

Analogs

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Popular Name: (2Z)-2-[(2-bromophenyl)methylene]-8-cyclopropyl-4-methyl-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-2-[(2-bromophenyl)methylene…

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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) 4.35 8.39 -7.44 0 4 0 43 412.283 2 ↓
Mid Mid (pH 6-8) 4.35 11.37 -45 1 4 1 44 413.291 2 ↓

Analogs

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Popular Name: (2Z)-8-cyclopropyl-2-[(3-fluorophenyl)methylene]-4-methyl-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-on (2Z)-8-cyclopropyl-2-[(3-fluorop…

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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) 3.73 7.94 -8.53 0 4 0 43 351.377 2 ↓
Mid Mid (pH 6-8) 3.73 10.92 -39.5 1 4 1 44 352.385 2 ↓

Analogs

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Popular Name: (2Z)-2-[(3-chlorophenyl)methylene]-8-cyclopropyl-4-methyl-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-on (2Z)-2-[(3-chlorophenyl)methylen…

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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) 4.24 8.4 -7.9 0 4 0 43 367.832 2 ↓
Mid Mid (pH 6-8) 4.24 11.37 -39.37 1 4 1 44 368.84 2 ↓

Analogs

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Popular Name: (2Z)-2-[(3-bromophenyl)methylene]-8-cyclopropyl-4-methyl-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-2-[(3-bromophenyl)methylene…

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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) 4.38 8.49 -7.84 0 4 0 43 412.283 2 ↓
Mid Mid (pH 6-8) 4.38 11.47 -39.36 1 4 1 44 413.291 2 ↓

Analogs

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Popular Name: (2Z)-8-cyclopropyl-4-methyl-2-(m-tolylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-8-cyclopropyl-4-methyl-2-(m…

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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 8.54 -7.34 0 4 0 43 347.414 2 ↓
Mid Mid (pH 6-8) 4.01 11.52 -42.07 1 4 1 44 348.422 2 ↓

Analogs

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Popular Name: (2Z)-8-cyclopropyl-4-methyl-2-(o-tolylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-8-cyclopropyl-4-methyl-2-(o…

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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) 3.99 8.44 -7.37 0 4 0 43 347.414 2 ↓
Mid Mid (pH 6-8) 3.99 11.41 -41.86 1 4 1 44 348.422 2 ↓

Analogs

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Popular Name: (2Z)-8-cyclopropyl-2-[(4-ethylphenyl)methylene]-4-methyl-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-8-cyclopropyl-2-[(4-ethylph…

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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) 4.50 9.32 -7.31 0 4 0 43 361.441 3 ↓
Mid Mid (pH 6-8) 4.50 12.29 -41.93 1 4 1 44 362.449 3 ↓

Analogs

12442511
12442511
12442513
12442513
12442578
12442578

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Popular Name: (2Z)-2-[(4-tert-butylphenyl)methylene]-8-cyclopropyl-4-methyl-7,9-dihydrofuro[2,3-f][1,3]benzoxazin- (2Z)-2-[(4-tert-butylphenyl)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) 5.30 10.2 -7.15 0 4 0 43 389.495 3 ↓
Mid Mid (pH 6-8) 5.30 13.16 -41.93 1 4 1 44 390.503 3 ↓

Analogs

12442513
12442513
12442511
12442511
12442578
12442578

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Popular Name: (2Z)-8-cyclopropyl-4-methyl-2-[(4-nitrophenyl)methylene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-8-cyclopropyl-4-methyl-2-[(…

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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 -10.09 0 7 0 89 378.384 3 ↓
Mid Mid (pH 6-8) 3.55 11.56 -47.34 1 7 1 90 379.392 3 ↓

Analogs

12442513
12442513
12442511
12442511
12442578
12442578

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Popular Name: (2Z)-2-[(4-bromophenyl)methylene]-8-cyclopropyl-4-methyl-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-2-[(4-bromophenyl)methylene…

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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) 4.40 8.5 -6.88 0 4 0 43 412.283 2 ↓
Mid Mid (pH 6-8) 4.40 11.48 -42.34 1 4 1 44 413.291 2 ↓

Analogs

12442513
12442513
12442511
12442511
12442578
12442578

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Popular Name: (2Z)-8-cyclopropyl-2-[(3,4-dichlorophenyl)methylene]-4-methyl-7,9-dihydrofuro[2,3-f][1,3]benzoxazin- (2Z)-8-cyclopropyl-2-[(3,4-dichl…

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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) 4.87 8.85 -7.89 0 4 0 43 402.277 2 ↓
Mid Mid (pH 6-8) 4.87 11.83 -40.31 1 4 1 44 403.285 2 ↓

Analogs

12442511
12442511
12442513
12442513
12442578
12442578

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Popular Name: (2Z)-8-cyclopropyl-2-[(2,3-dimethoxyphenyl)methylene]-4-methyl-7,9-dihydrofuro[2,3-f][1,3]benzoxazin (2Z)-8-cyclopropyl-2-[(2,3-dimet…

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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) 3.41 7.23 -9.77 0 6 0 61 393.439 4 ↓
Mid Mid (pH 6-8) 3.41 10.21 -47.53 1 6 1 62 394.447 4 ↓

Analogs

12442511
12442511
12442513
12442513
12442578
12442578

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Popular Name: (2Z)-8-cyclopropyl-4-methyl-2-[(2,3,4-trimethoxyphenyl)methylene]-7,9-dihydrofuro[2,3-f][1,3]benzoxa (2Z)-8-cyclopropyl-4-methyl-2-[(…

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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) 3.42 7.18 -10.31 0 7 0 70 423.465 5 ↓
Mid Mid (pH 6-8) 3.42 10.16 -49.23 1 7 1 72 424.473 5 ↓

Analogs

12442513
12442513
12442511
12442511
12442578
12442578

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-cyclopropyl-2-[(4-dimethylaminophenyl)methylene]-4-methyl-7,9-dihydrofuro[2,3-f][1,3]benzoxaz (2Z)-8-cyclopropyl-2-[(4-dimethy…

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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) 3.69 8.26 -8.87 0 5 0 46 376.456 3 ↓
Mid Mid (pH 6-8) 3.69 11.25 -43.05 1 5 1 47 377.464 3 ↓
Lo Low (pH 4.5-6) 3.69 12.01 -106.73 2 5 0 48 378.472 3 ↓

Analogs

12442504
12442504

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Popular Name: (2Z)-8-cyclopropyl-2-(p-tolylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-8-cyclopropyl-2-(p-tolylmet…

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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) 3.66 7.9 -7.59 0 4 0 43 333.387 2 ↓
Mid Mid (pH 6-8) 3.66 10.88 -42.25 1 4 1 44 334.395 2 ↓

Analogs

12442504
12442504
12442506
12442506
12442516
12442516

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Popular Name: (2Z)-8-cyclopropyl-2-[(4-fluorophenyl)methylene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-8-cyclopropyl-2-[(4-fluorop…

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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) 3.38 7.29 -7.57 0 4 0 43 337.35 2 ↓
Mid Mid (pH 6-8) 3.38 10.27 -43.14 1 4 1 44 338.358 2 ↓

Analogs

12442504
12442504
12442506
12442506
12442616
12442616

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Popular Name: (2Z)-2-[(4-chlorophenyl)methylene]-8-cyclopropyl-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-2-[(4-chlorophenyl)methylen…

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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 7.75 -7.1 0 4 0 43 353.805 2 ↓
Mid Mid (pH 6-8) 3.89 10.72 -42.58 1 4 1 44 354.813 2 ↓

Analogs

12442504
12442504
8993000
8993000
12442506
12442506

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-cyclopropyl-2-[(2,4-dichlorophenyl)methylene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-8-cyclopropyl-2-[(2,4-dichl…

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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) 4.50 8.18 -5.97 0 4 0 43 388.25 2 ↓
Mid Mid (pH 6-8) 4.50 11.15 -44.67 1 4 1 44 389.258 2 ↓

Analogs

12442504
12442504
8993000
8993000
12442506
12442506

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(2-chlorophenyl)methylene]-8-cyclopropyl-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-2-[(2-chlorophenyl)methylen…

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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 7.67 -7.56 0 4 0 43 353.805 2 ↓
Mid Mid (pH 6-8) 3.84 10.64 -45.25 1 4 1 44 354.813 2 ↓

Analogs

12442504
12442504
12442506
12442506
12442616
12442616

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-cyclopropyl-2-[(2-fluorophenyl)methylene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-8-cyclopropyl-2-[(2-fluorop…

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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 7.28 -8.11 0 4 0 43 337.35 2 ↓
Mid Mid (pH 6-8) 3.33 10.26 -46.03 1 4 1 44 338.358 2 ↓

Analogs

12442504
12442504
12442507
12442507
12442509
12442509

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-cyclopropyl-2-[(2-methoxyphenyl)methylene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-8-cyclopropyl-2-[(2-methoxy…

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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) 3.22 6.61 -9 0 5 0 52 349.386 3 ↓
Mid Mid (pH 6-8) 3.22 9.58 -44.6 1 5 1 53 350.394 3 ↓

Analogs

12442509
12442509
12442507
12442507
12442612
12442612

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Popular Name: (2Z)-8-cyclopropyl-2-[(3,4-dimethoxyphenyl)methylene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-8-cyclopropyl-2-[(3,4-dimet…

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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) 2.86 6.45 -10.47 0 6 0 61 379.412 4 ↓
Mid Mid (pH 6-8) 2.86 9.42 -47.55 1 6 1 62 380.42 4 ↓

Analogs

12442509
12442509
12442507
12442507
12442612
12442612

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Popular Name: (2Z)-8-cyclopropyl-2-[(3,4,5-trimethoxyphenyl)methylene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-8-cyclopropyl-2-[(3,4,5-tri…

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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) 2.84 6.35 -11.57 0 7 0 70 409.438 5 ↓
Mid Mid (pH 6-8) 2.84 9.33 -49.5 1 7 1 72 410.446 5 ↓

Analogs

12442506
12442506
12442504
12442504

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Popular Name: (2Z)-2-[(2-chloro-6-fluoro-phenyl)methylene]-8-cyclopropyl-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-o (2Z)-2-[(2-chloro-6-fluoro-pheny…

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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 7.72 -8.51 0 4 0 43 371.795 2 ↓
Mid Mid (pH 6-8) 3.96 10.68 -41.71 1 4 1 44 372.803 2 ↓

Analogs

12442504
12442504
12442507
12442507
12442509
12442509

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-cyclopropyl-2-[(2,4-dimethoxyphenyl)methylene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-8-cyclopropyl-2-[(2,4-dimet…

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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) 3.25 5.9 -9.49 0 6 0 61 379.412 4 ↓
Mid Mid (pH 6-8) 3.25 8.89 -46.59 1 6 1 62 380.42 4 ↓

Analogs

12442507
12442507
12442509
12442509
12442576
12442576

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-cyclopropyl-2-[(2,5-dimethoxyphenyl)methylene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-8-cyclopropyl-2-[(2,5-dimet…

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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) 3.25 5.89 -9.98 0 6 0 61 379.412 4 ↓
Mid Mid (pH 6-8) 3.25 8.86 -42.02 1 6 1 62 380.42 4 ↓

Analogs

12442504
12442504
12442614
12442614
12442616
12442616

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Popular Name: (2Z)-8-cyclopropyl-2-[(4-isopropylphenyl)methylene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-8-cyclopropyl-2-[(4-isoprop…

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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) 4.72 9.14 -7.23 0 4 0 43 361.441 3 ↓
Mid Mid (pH 6-8) 4.72 12.12 -42.35 1 4 1 44 362.449 3 ↓

Parameters Provided:

ring.id = 329206
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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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 = 329206 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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