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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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

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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) 3.95 8.15 -46.4 1 7 0 60 478.613 7 ↓
Mid Mid (pH 6-8) 3.95 10.41 -130.01 2 7 0 61 479.621 7 ↓
Mid Mid (pH 6-8) 3.95 8.03 -9.79 0 7 0 58 477.605 7 ↓

Analogs

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Popular Name: (2Z)-2-[[4-(diethylamino)phenyl]methylene]-8-(2-morpholinoethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxaz (2Z)-2-[[4-(diethylamino)phenyl]…

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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) 3.58 7.5 -47.55 1 7 0 60 464.586 7 ↓
Mid Mid (pH 6-8) 3.58 7.38 -9.84 0 7 0 58 463.578 7 ↓
Mid Mid (pH 6-8) 3.58 9.76 -130.24 2 7 0 61 465.594 7 ↓

Analogs

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

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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 6.42 -8.83 0 6 0 55 420.509 4 ↓
Mid Mid (pH 6-8) 3.55 8.68 -48.23 1 6 1 56 421.517 4 ↓

Analogs

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Popular Name: (2Z)-2-[(4-fluorophenyl)methylene]-4-methyl-8-(2-morpholinoethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxa (2Z)-2-[(4-fluorophenyl)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) 3.26 5.82 -8.97 0 6 0 55 424.472 4 ↓
Mid Mid (pH 6-8) 3.26 8.09 -47.91 1 6 1 56 425.48 4 ↓

Analogs

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Popular Name: (2Z)-2-[(4-chlorophenyl)methylene]-4-methyl-8-(2-morpholinoethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxa (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) 3.78 6.26 -8.46 0 6 0 55 440.927 4 ↓
Mid Mid (pH 6-8) 3.78 8.53 -47.64 1 6 1 56 441.935 4 ↓

Analogs

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Popular Name: (2Z)-2-[(2,4-dichlorophenyl)methylene]-4-methyl-8-(2-morpholinoethyl)-7,9-dihydrofuro[2,3-f][1,3]ben (2Z)-2-[(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) 4.38 6.69 -7.48 0 6 0 55 475.372 4 ↓
Mid Mid (pH 6-8) 4.38 8.95 -48.76 1 6 1 56 476.38 4 ↓

Analogs

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Popular Name: (2Z)-2-[(2-chlorophenyl)methylene]-4-methyl-8-(2-morpholinoethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxa (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) 3.73 6.17 -8.94 0 6 0 55 440.927 4 ↓
Mid Mid (pH 6-8) 3.73 8.44 -50.34 1 6 1 56 441.935 4 ↓

Analogs

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Popular Name: (2Z)-2-[(2-fluorophenyl)methylene]-4-methyl-8-(2-morpholinoethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxa (2Z)-2-[(2-fluorophenyl)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) 3.22 5.79 -9.59 0 6 0 55 424.472 4 ↓
Mid Mid (pH 6-8) 3.22 8.07 -51.19 1 6 1 56 425.48 4 ↓

Analogs

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Popular Name: (2Z)-2-[(2-methoxyphenyl)methylene]-4-methyl-8-(2-morpholinoethyl)-7,9-dihydrofuro[2,3-f][1,3]benzox (2Z)-2-[(2-methoxyphenyl)methyle…

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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) 3.11 5.1 -10.35 0 7 0 64 436.508 5 ↓
Mid Mid (pH 6-8) 3.11 7.37 -50.6 1 7 1 66 437.516 5 ↓

Analogs

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Popular Name: (2Z)-2-[(3,4-dimethoxyphenyl)methylene]-4-methyl-8-(2-morpholinoethyl)-7,9-dihydrofuro[2,3-f][1,3]be (2Z)-2-[(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) 2.75 4.98 -11.85 0 8 0 74 466.534 6 ↓
Mid Mid (pH 6-8) 2.75 7.25 -52.36 1 8 1 75 467.542 6 ↓

Analogs

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

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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) 2.73 4.89 -13.05 0 9 0 83 496.56 7 ↓
Mid Mid (pH 6-8) 2.73 7.17 -53.5 1 9 1 84 497.568 7 ↓

Analogs

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Popular Name: (2Z)-2-[(2-chloro-6-fluoro-phenyl)methylene]-4-methyl-8-(2-morpholinoethyl)-7,9-dihydrofuro[2,3-f][1 (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) 3.85 6.24 -10.2 0 6 0 55 458.917 4 ↓
Mid Mid (pH 6-8) 3.85 8.51 -49.21 1 6 1 56 459.925 4 ↓

Analogs

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Popular Name: (2Z)-2-[(2,4-dimethoxyphenyl)methylene]-4-methyl-8-(2-morpholinoethyl)-7,9-dihydrofuro[2,3-f][1,3]be (2Z)-2-[(2,4-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) 3.14 4.39 -10.84 0 8 0 74 466.534 6 ↓
Mid Mid (pH 6-8) 3.14 6.66 -52.11 1 8 1 75 467.542 6 ↓

Analogs

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Popular Name: (2Z)-2-[(2,5-dimethoxyphenyl)methylene]-4-methyl-8-(2-morpholinoethyl)-7,9-dihydrofuro[2,3-f][1,3]be (2Z)-2-[(2,5-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) 3.14 4.39 -11.16 0 8 0 74 466.534 6 ↓
Mid Mid (pH 6-8) 3.14 6.65 -49.24 1 8 1 75 467.542 6 ↓

Analogs

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Popular Name: (2Z)-2-[(4-isopropylphenyl)methylene]-4-methyl-8-(2-morpholinoethyl)-7,9-dihydrofuro[2,3-f][1,3]benz (2Z)-2-[(4-isopropylphenyl)methy…

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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) 4.61 7.66 -8.49 0 6 0 55 448.563 5 ↓
Mid Mid (pH 6-8) 4.61 9.93 -48.14 1 6 1 56 449.571 5 ↓

Analogs

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Popular Name: (2Z)-4-methyl-8-(2-morpholinoethyl)-2-[(3-nitrophenyl)methylene]-7,9-dihydrofuro[2,3-f][1,3]benzoxaz (2Z)-4-methyl-8-(2-morpholinoeth…

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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) 3.04 6.46 -11.68 0 9 0 101 451.479 5 ↓
Mid Mid (pH 6-8) 3.04 8.72 -54.98 1 9 1 102 452.487 5 ↓

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) 3.27 6.38 -11.35 0 8 0 81 464.518 6 ↓
Mid Mid (pH 6-8) 3.27 8.65 -51.85 1 8 1 83 465.526 6 ↓

Analogs

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Popular Name: (2Z)-2-[(2,6-dichlorophenyl)methylene]-4-methyl-8-(2-morpholinoethyl)-7,9-dihydrofuro[2,3-f][1,3]ben (2Z)-2-[(2,6-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) 4.36 6.62 -9.14 0 6 0 55 475.372 4 ↓
Mid Mid (pH 6-8) 4.36 8.89 -48.36 1 6 1 56 476.38 4 ↓

Analogs

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Popular Name: (2Z)-2-[(4-ethoxyphenyl)methylene]-4-methyl-8-(2-morpholinoethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxa (2Z)-2-[(4-ethoxyphenyl)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) 3.53 5.98 -9.75 0 7 0 64 450.535 6 ↓
Mid Mid (pH 6-8) 3.53 8.25 -50.23 1 7 1 66 451.543 6 ↓

Analogs

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Popular Name: (2Z)-2-[(2-ethoxyphenyl)methylene]-4-methyl-8-(2-morpholinoethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxa (2Z)-2-[(2-ethoxyphenyl)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) 3.48 6.05 -10.17 0 7 0 64 450.535 6 ↓
Mid Mid (pH 6-8) 3.48 8.31 -50.41 1 7 1 66 451.543 6 ↓

Analogs

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Popular Name: (2Z)-2-[(4-methoxyphenyl)methylene]-4-methyl-8-(2-morpholinoethyl)-7,9-dihydrofuro[2,3-f][1,3]benzox (2Z)-2-[(4-methoxyphenyl)methyle…

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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) 3.16 5.06 -9.89 0 7 0 64 436.508 5 ↓
Mid Mid (pH 6-8) 3.16 7.33 -50.28 1 7 1 66 437.516 5 ↓

Analogs

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Popular Name: (2Z)-2-[(3-methoxyphenyl)methylene]-4-methyl-8-(2-morpholinoethyl)-7,9-dihydrofuro[2,3-f][1,3]benzox (2Z)-2-[(3-methoxyphenyl)methyle…

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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) 3.13 5.04 -10.46 0 7 0 64 436.508 5 ↓
Mid Mid (pH 6-8) 3.13 7.32 -47.59 1 7 1 66 437.516 5 ↓

Analogs

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Popular Name: (2Z)-2-benzylidene-4-methyl-8-(2-morpholinoethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-2-benzylidene-4-methyl-8-(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) 3.10 5.74 -8.89 0 6 0 55 406.482 4 ↓
Mid Mid (pH 6-8) 3.10 8.02 -48.29 1 6 1 56 407.49 4 ↓

Analogs

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

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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) 2.73 4.27 -12.94 0 9 0 83 496.56 7 ↓
Mid Mid (pH 6-8) 2.73 6.54 -53.2 1 9 1 84 497.568 7 ↓

Analogs

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Popular Name: (2Z)-2-[(5-bromo-2-methoxy-phenyl)methylene]-4-methyl-8-(2-morpholinoethyl)-7,9-dihydrofuro[2,3-f][1 (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) 3.89 5.72 -9.54 0 7 0 64 515.404 5 ↓
Mid Mid (pH 6-8) 3.89 7.98 -47.36 1 7 1 66 516.412 5 ↓

Analogs

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Popular Name: (2Z)-2-[(2-bromophenyl)methylene]-4-methyl-8-(2-morpholinoethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxaz (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) 3.86 6.25 -8.92 0 6 0 55 485.378 4 ↓
Mid Mid (pH 6-8) 3.86 8.52 -50.42 1 6 1 56 486.386 4 ↓

Analogs

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Popular Name: (2Z)-2-[(3-fluorophenyl)methylene]-4-methyl-8-(2-morpholinoethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxa (2Z)-2-[(3-fluorophenyl)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) 3.24 5.81 -9.89 0 6 0 55 424.472 4 ↓
Mid Mid (pH 6-8) 3.24 8.08 -46.04 1 6 1 56 425.48 4 ↓

Analogs

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Popular Name: (2Z)-2-[(3-chlorophenyl)methylene]-4-methyl-8-(2-morpholinoethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxa (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) 3.75 6.26 -9.14 0 6 0 55 440.927 4 ↓
Mid Mid (pH 6-8) 3.75 8.53 -45.89 1 6 1 56 441.935 4 ↓

Analogs

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Popular Name: (2Z)-2-[(3-bromophenyl)methylene]-4-methyl-8-(2-morpholinoethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxaz (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) 3.88 6.35 -9.16 0 6 0 55 485.378 4 ↓
Mid Mid (pH 6-8) 3.88 8.62 -45.88 1 6 1 56 486.386 4 ↓

Analogs

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

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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 6.41 -8.71 0 6 0 55 420.509 4 ↓
Mid Mid (pH 6-8) 3.52 8.67 -48.12 1 6 1 56 421.517 4 ↓

Analogs

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

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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 6.3 -8.68 0 6 0 55 420.509 4 ↓
Mid Mid (pH 6-8) 3.50 8.57 -47.98 1 6 1 56 421.517 4 ↓

Analogs

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Popular Name: (2Z)-2-[(4-ethylphenyl)methylene]-4-methyl-8-(2-morpholinoethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxaz (2Z)-2-[(4-ethylphenyl)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) 4.01 7.18 -8.64 0 6 0 55 434.536 5 ↓
Mid Mid (pH 6-8) 4.01 9.46 -48.07 1 6 1 56 435.544 5 ↓

Analogs

22788593
22788593
22806737
22806737
20713665
20713665
20713737
20713737

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Popular Name: (2Z)-2-[(4-tert-butylphenyl)methylene]-4-methyl-8-(2-morpholinoethyl)-7,9-dihydrofuro[2,3-f][1,3]ben (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) 4.81 8.06 -8.44 0 6 0 55 462.59 5 ↓
Mid Mid (pH 6-8) 4.81 10.34 -47.96 1 6 1 56 463.598 5 ↓

Analogs

22788593
22788593
22806737
22806737
12442578
12442578
20713737
20713737

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Popular Name: (2Z)-4-methyl-8-(2-morpholinoethyl)-2-[(4-nitrophenyl)methylene]-7,9-dihydrofuro[2,3-f][1,3]benzoxaz (2Z)-4-methyl-8-(2-morpholinoeth…

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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) 3.06 6.45 -11.57 0 9 0 101 451.479 5 ↓
Mid Mid (pH 6-8) 3.06 8.72 -50.9 1 9 1 102 452.487 5 ↓

Analogs

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Popular Name: (2Z)-2-[(4-bromophenyl)methylene]-4-methyl-8-(2-morpholinoethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxaz (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) 3.91 6.36 -8.33 0 6 0 55 485.378 4 ↓
Mid Mid (pH 6-8) 3.91 8.63 -47.49 1 6 1 56 486.386 4 ↓

Analogs

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Popular Name: (2Z)-2-[(3,4-dichlorophenyl)methylene]-4-methyl-8-(2-morpholinoethyl)-7,9-dihydrofuro[2,3-f][1,3]ben (2Z)-2-[(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) 4.38 6.72 -9.21 0 6 0 55 475.372 4 ↓
Mid Mid (pH 6-8) 4.38 8.98 -45.99 1 6 1 56 476.38 4 ↓

Analogs

22935523
22935523
22807459
22807459
20676699
20676699
22806788
22806788

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Popular Name: (2Z)-2-[(2,3-dimethoxyphenyl)methylene]-4-methyl-8-(2-morpholinoethyl)-7,9-dihydrofuro[2,3-f][1,3]be (2Z)-2-[(2,3-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) 2.92 5.1 -11.19 0 8 0 74 466.534 6 ↓
Mid Mid (pH 6-8) 2.92 7.36 -52.86 1 8 1 75 467.542 6 ↓

Analogs

22935523
22935523
22807459
22807459
20676699
20676699
22806788
22806788

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

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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) 2.93 5.05 -11.8 0 9 0 83 496.56 7 ↓
Mid Mid (pH 6-8) 2.93 7.31 -54.16 1 9 1 84 497.568 7 ↓

Analogs

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Popular Name: (2Z)-2-[(4-dimethylaminophenyl)methylene]-4-methyl-8-(2-morpholinoethyl)-7,9-dihydrofuro[2,3-f][1,3] (2Z)-2-[(4-dimethylaminophenyl)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) 3.20 6.16 -10.21 0 7 0 58 449.551 5 ↓
Mid Mid (pH 6-8) 3.20 8.4 -49.72 1 7 1 60 450.559 5 ↓
Lo Low (pH 4.5-6) 3.20 9.19 -129.17 2 7 0 61 451.567 5 ↓

Analogs

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Popular Name: (2Z)-8-(2-morpholinoethyl)-2-(p-tolylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-8-(2-morpholinoethyl)-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) 3.17 5.77 -8.92 0 6 0 55 406.482 4 ↓
Mid Mid (pH 6-8) 3.17 8.03 -48.37 1 6 1 56 407.49 4 ↓

Analogs

22935537
22935537
20713737
20713737
20713665
20713665

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Popular Name: (2Z)-2-[(4-fluorophenyl)methylene]-8-(2-morpholinoethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-2-[(4-fluorophenyl)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) 2.89 5.16 -8.97 0 6 0 55 410.445 4 ↓
Mid Mid (pH 6-8) 2.89 7.43 -48.27 1 6 1 56 411.453 4 ↓

Analogs

20713737
20713737
20713665
20713665

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Popular Name: (2Z)-2-[(4-chlorophenyl)methylene]-8-(2-morpholinoethyl)-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) 3.40 5.61 -8.51 0 6 0 55 426.9 4 ↓
Mid Mid (pH 6-8) 3.40 7.88 -47.83 1 6 1 56 427.908 4 ↓

Analogs

20713665
20713665
20713737
20713737
22788593
22788593

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Popular Name: (2Z)-2-[(2,4-dichlorophenyl)methylene]-8-(2-morpholinoethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3 (2Z)-2-[(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) 4.01 6.04 -7.45 0 6 0 55 461.345 4 ↓
Mid Mid (pH 6-8) 4.01 8.31 -49.08 1 6 1 56 462.353 4 ↓

Analogs

22935537
22935537
20713665
20713665
20713737
20713737

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(2-fluorophenyl)methylene]-8-(2-morpholinoethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-2-[(2-fluorophenyl)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) 2.84 5.15 -9.58 0 6 0 55 410.445 4 ↓
Mid Mid (pH 6-8) 2.84 7.42 -51.34 1 6 1 56 411.453 4 ↓

Analogs

22935537
22935537
20713801
20713801

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Popular Name: (2Z)-2-[(2-chloro-6-fluoro-phenyl)methylene]-8-(2-morpholinoethyl)-7,9-dihydrofuro[2,3-f][1,3]benzox (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) 3.47 5.58 -9.84 0 6 0 55 444.89 4 ↓
Mid Mid (pH 6-8) 3.47 7.85 -49.3 1 6 1 56 445.898 4 ↓

Analogs

20713737
20713737
20713665
20713665
22786925
22786925

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

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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 7.01 -8.51 0 6 0 55 434.536 5 ↓
Mid Mid (pH 6-8) 4.24 9.28 -48.28 1 6 1 56 435.544 5 ↓

Analogs

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Popular Name: (2Z)-8-(2-morpholinoethyl)-2-[(3-nitrophenyl)methylene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-8-(2-morpholinoethyl)-2-[(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) 2.66 5.79 -11.85 0 9 0 101 437.452 5 ↓
Mid Mid (pH 6-8) 2.66 8.06 -55.47 1 9 1 102 438.46 5 ↓

Analogs

20713665
20713665
20713737
20713737
22786925
22786925

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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) 2.89 5.74 -11.4 0 8 0 81 450.491 6 ↓
Mid Mid (pH 6-8) 2.89 8 -52.26 1 8 1 83 451.499 6 ↓

Analogs

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Popular Name: (2Z)-2-[(2,6-dichlorophenyl)methylene]-8-(2-morpholinoethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3 (2Z)-2-[(2,6-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) 3.98 5.97 -9.25 0 6 0 55 461.345 4 ↓
Mid Mid (pH 6-8) 3.98 8.24 -48.46 1 6 1 56 462.353 4 ↓

Analogs

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Popular Name: (2Z)-2-[(4-ethoxyphenyl)methylene]-8-(2-morpholinoethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-2-[(4-ethoxyphenyl)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) 3.16 5.33 -9.87 0 7 0 64 436.508 6 ↓
Mid Mid (pH 6-8) 3.16 7.6 -50.37 1 7 1 66 437.516 6 ↓

Parameters Provided:

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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 = 329218 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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