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Analogs

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Popular Name: (2Z)-2-[[4-(diethylamino)phenyl]methylene]-4-methyl-8-[2-(2-thienyl)ethyl]-7,9-dihydrofuro[2,3-f][1, (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) 5.78 12.55 -48.17 1 5 0 47 475.634 7 ↓
Mid Mid (pH 6-8) 5.78 12.45 -9.35 0 5 0 46 474.626 7 ↓
Lo Low (pH 4.5-6) 5.78 15.41 -108.1 2 5 0 48 476.642 7 ↓

Analogs

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Popular Name: (2Z)-2-[[4-(diethylamino)phenyl]methylene]-8-[2-(2-thienyl)ethyl]-7,9-dihydrofuro[2,3-f][1,3]benzoxa (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) 5.41 11.9 -49.25 1 5 0 47 461.607 7 ↓
Mid Mid (pH 6-8) 5.41 11.8 -9.43 0 5 0 46 460.599 7 ↓
Lo Low (pH 4.5-6) 5.41 14.76 -112.33 2 5 0 48 462.615 7 ↓

Analogs

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

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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 10.83 -8.54 0 4 0 43 417.53 4 ↓
Lo Low (pH 4.5-6) 5.38 13.67 -50.56 1 4 1 44 418.538 4 ↓

Analogs

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Popular Name: (2Z)-2-[(4-fluorophenyl)methylene]-4-methyl-8-[2-(2-thienyl)ethyl]-7,9-dihydrofuro[2,3-f][1,3]benzox (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) 5.09 10.23 -8.6 0 4 0 43 421.493 4 ↓
Lo Low (pH 4.5-6) 5.09 13.07 -51.69 1 4 1 44 422.501 4 ↓

Analogs

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Popular Name: (2Z)-2-[(4-chlorophenyl)methylene]-4-methyl-8-[2-(2-thienyl)ethyl]-7,9-dihydrofuro[2,3-f][1,3]benzox (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) 5.61 10.67 -8.11 0 4 0 43 437.948 4 ↓
Lo Low (pH 4.5-6) 5.61 13.53 -51.14 1 4 1 44 438.956 4 ↓

Analogs

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Popular Name: (2Z)-2-[(2,4-dichlorophenyl)methylene]-4-methyl-8-[2-(2-thienyl)ethyl]-7,9-dihydrofuro[2,3-f][1,3]be (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) 6.21 11.1 -7.01 0 4 0 43 472.393 4 ↓
Lo Low (pH 4.5-6) 6.21 13.95 -53.34 1 4 1 44 473.401 4 ↓

Analogs

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Popular Name: (2Z)-2-[(2-chlorophenyl)methylene]-4-methyl-8-[2-(2-thienyl)ethyl]-7,9-dihydrofuro[2,3-f][1,3]benzox (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) 5.56 10.58 -8.53 0 4 0 43 437.948 4 ↓
Lo Low (pH 4.5-6) 5.56 13.42 -53.63 1 4 1 44 438.956 4 ↓

Analogs

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Popular Name: (2Z)-2-[(2-fluorophenyl)methylene]-4-methyl-8-[2-(2-thienyl)ethyl]-7,9-dihydrofuro[2,3-f][1,3]benzox (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) 5.04 10.2 -9.12 0 4 0 43 421.493 4 ↓
Lo Low (pH 4.5-6) 5.04 13.05 -54.54 1 4 1 44 422.501 4 ↓

Analogs

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Popular Name: (2Z)-2-[(2-methoxyphenyl)methylene]-4-methyl-8-[2-(2-thienyl)ethyl]-7,9-dihydrofuro[2,3-f][1,3]benzo (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) 4.94 9.51 -10.02 0 5 0 52 433.529 5 ↓
Lo Low (pH 4.5-6) 4.94 12.36 -52.94 1 5 1 53 434.537 5 ↓

Analogs

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Popular Name: (2Z)-2-[(3,4-dimethoxyphenyl)methylene]-4-methyl-8-[2-(2-thienyl)ethyl]-7,9-dihydrofuro[2,3-f][1,3]b (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) 4.57 9.39 -11.42 0 6 0 61 463.555 6 ↓
Lo Low (pH 4.5-6) 4.57 12.24 -55.67 1 6 1 62 464.563 6 ↓

Analogs

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

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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) 4.56 9.3 -12.51 0 7 0 70 493.581 7 ↓
Lo Low (pH 4.5-6) 4.56 12.14 -58.33 1 7 1 72 494.589 7 ↓

Analogs

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Popular Name: (2Z)-2-[(2-chloro-6-fluoro-phenyl)methylene]-4-methyl-8-[2-(2-thienyl)ethyl]-7,9-dihydrofuro[2,3-f][ (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) 5.67 10.65 -9.84 0 4 0 43 455.938 4 ↓
Lo Low (pH 4.5-6) 5.67 13.5 -49.42 1 4 1 44 456.946 4 ↓

Analogs

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Popular Name: (2Z)-2-[(2,4-dimethoxyphenyl)methylene]-4-methyl-8-[2-(2-thienyl)ethyl]-7,9-dihydrofuro[2,3-f][1,3]b (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) 4.97 8.8 -10.45 0 6 0 61 463.555 6 ↓
Lo Low (pH 4.5-6) 4.97 11.66 -54.82 1 6 1 62 464.563 6 ↓

Analogs

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Popular Name: (2Z)-2-[(2,5-dimethoxyphenyl)methylene]-4-methyl-8-[2-(2-thienyl)ethyl]-7,9-dihydrofuro[2,3-f][1,3]b (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) 4.97 8.8 -10.92 0 6 0 61 463.555 6 ↓
Lo Low (pH 4.5-6) 4.97 11.65 -49.72 1 6 1 62 464.563 6 ↓

Analogs

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Popular Name: (2Z)-2-[(4-isopropylphenyl)methylene]-4-methyl-8-[2-(2-thienyl)ethyl]-7,9-dihydrofuro[2,3-f][1,3]ben (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) 6.44 12.07 -8.16 0 4 0 43 445.584 5 ↓
Lo Low (pH 4.5-6) 6.44 14.92 -50.69 1 4 1 44 446.592 5 ↓

Analogs

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

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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) 4.86 10.87 -11.14 0 7 0 89 448.5 5 ↓
Lo Low (pH 4.5-6) 4.86 13.72 -60.63 1 7 1 90 449.508 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) 5.10 10.79 -10.87 0 6 0 69 461.539 6 ↓
Lo Low (pH 4.5-6) 5.10 13.65 -52.41 1 6 1 70 462.547 6 ↓

Analogs

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Popular Name: (2Z)-2-[(2,6-dichlorophenyl)methylene]-4-methyl-8-[2-(2-thienyl)ethyl]-7,9-dihydrofuro[2,3-f][1,3]be (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) 6.19 11.03 -8.83 0 4 0 43 472.393 4 ↓
Lo Low (pH 4.5-6) 6.19 13.88 -48.74 1 4 1 44 473.401 4 ↓

Analogs

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Popular Name: (2Z)-2-[(4-ethoxyphenyl)methylene]-4-methyl-8-[2-(2-thienyl)ethyl]-7,9-dihydrofuro[2,3-f][1,3]benzox (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) 5.36 10.39 -9.38 0 5 0 52 447.556 6 ↓
Lo Low (pH 4.5-6) 5.36 13.25 -52.9 1 5 1 53 448.564 6 ↓

Analogs

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Popular Name: (2Z)-2-[(2-ethoxyphenyl)methylene]-4-methyl-8-[2-(2-thienyl)ethyl]-7,9-dihydrofuro[2,3-f][1,3]benzox (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) 5.31 10.46 -9.75 0 5 0 52 447.556 6 ↓
Lo Low (pH 4.5-6) 5.31 13.3 -52.94 1 5 1 53 448.564 6 ↓

Analogs

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Popular Name: (2Z)-2-[(3-methoxyphenyl)methylene]-4-methyl-8-[2-(2-thienyl)ethyl]-7,9-dihydrofuro[2,3-f][1,3]benzo (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) 4.96 9.45 -10.16 0 5 0 52 433.529 5 ↓
Lo Low (pH 4.5-6) 4.96 12.3 -47.97 1 5 1 53 434.537 5 ↓

Analogs

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Popular Name: (2Z)-2-benzylidene-4-methyl-8-[2-(2-thienyl)ethyl]-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) 4.93 10.15 -8.56 0 4 0 43 403.503 4 ↓
Lo Low (pH 4.5-6) 4.93 13 -50.62 1 4 1 44 404.511 4 ↓

Analogs

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

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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) 4.56 8.68 -12.39 0 7 0 70 493.581 7 ↓
Lo Low (pH 4.5-6) 4.56 11.54 -56.28 1 7 1 72 494.589 7 ↓

Analogs

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Popular Name: (2Z)-2-[(5-bromo-2-methoxy-phenyl)methylene]-4-methyl-8-[2-(2-thienyl)ethyl]-7,9-dihydrofuro[2,3-f][ (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) 5.72 10.13 -9.3 0 5 0 52 512.425 5 ↓
Lo Low (pH 4.5-6) 5.72 12.99 -48.82 1 5 1 53 513.433 5 ↓

Analogs

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Popular Name: (2Z)-2-[(2-bromophenyl)methylene]-4-methyl-8-[2-(2-thienyl)ethyl]-7,9-dihydrofuro[2,3-f][1,3]benzoxa (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) 5.69 10.66 -8.49 0 4 0 43 482.399 4 ↓
Lo Low (pH 4.5-6) 5.69 13.52 -53.81 1 4 1 44 483.407 4 ↓

Analogs

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Popular Name: (2Z)-2-[(3-fluorophenyl)methylene]-4-methyl-8-[2-(2-thienyl)ethyl]-7,9-dihydrofuro[2,3-f][1,3]benzox (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) 5.07 10.22 -9.58 0 4 0 43 421.493 4 ↓
Lo Low (pH 4.5-6) 5.07 13.07 -47.53 1 4 1 44 422.501 4 ↓

Analogs

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Popular Name: (2Z)-2-[(3-chlorophenyl)methylene]-4-methyl-8-[2-(2-thienyl)ethyl]-7,9-dihydrofuro[2,3-f][1,3]benzox (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) 5.58 10.67 -8.86 0 4 0 43 437.948 4 ↓
Lo Low (pH 4.5-6) 5.58 13.52 -47.38 1 4 1 44 438.956 4 ↓

Analogs

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Popular Name: (2Z)-2-[(3-bromophenyl)methylene]-4-methyl-8-[2-(2-thienyl)ethyl]-7,9-dihydrofuro[2,3-f][1,3]benzoxa (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) 5.71 10.76 -8.82 0 4 0 43 482.399 4 ↓
Lo Low (pH 4.5-6) 5.71 13.62 -47.28 1 4 1 44 483.407 4 ↓

Analogs

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

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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 10.82 -8.4 0 4 0 43 417.53 4 ↓
Lo Low (pH 4.5-6) 5.35 13.66 -50.66 1 4 1 44 418.538 4 ↓

Analogs

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

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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) 5.33 10.71 -8.37 0 4 0 43 417.53 4 ↓
Lo Low (pH 4.5-6) 5.33 13.56 -50.46 1 4 1 44 418.538 4 ↓

Analogs

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Popular Name: (2Z)-2-[(4-ethylphenyl)methylene]-4-methyl-8-[2-(2-thienyl)ethyl]-7,9-dihydrofuro[2,3-f][1,3]benzoxa (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) 5.84 11.59 -8.34 0 4 0 43 431.557 5 ↓
Lo Low (pH 4.5-6) 5.84 14.45 -50.47 1 4 1 44 432.565 5 ↓

Analogs

28541897
28541897
28541905
28541905

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Popular Name: (2Z)-2-[(4-tert-butylphenyl)methylene]-4-methyl-8-[2-(2-thienyl)ethyl]-7,9-dihydrofuro[2,3-f][1,3]be (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) 6.63 12.47 -8.13 0 4 0 43 459.611 5 ↓
Lo Low (pH 4.5-6) 6.63 15.32 -50.57 1 4 1 44 460.619 5 ↓

Analogs

28541897
28541897

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

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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) 4.89 10.86 -11.28 0 7 0 89 448.5 5 ↓
Lo Low (pH 4.5-6) 4.89 13.71 -56.55 1 7 1 90 449.508 5 ↓

Analogs

28541897
28541897

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Popular Name: (2Z)-2-[(4-bromophenyl)methylene]-4-methyl-8-[2-(2-thienyl)ethyl]-7,9-dihydrofuro[2,3-f][1,3]benzoxa (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) 5.74 10.77 -7.98 0 4 0 43 482.399 4 ↓
Lo Low (pH 4.5-6) 5.74 13.62 -51.04 1 4 1 44 483.407 4 ↓

Analogs

28541897
28541897

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Popular Name: (2Z)-2-[(3,4-dichlorophenyl)methylene]-4-methyl-8-[2-(2-thienyl)ethyl]-7,9-dihydrofuro[2,3-f][1,3]be (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) 6.21 11.13 -8.95 0 4 0 43 472.393 4 ↓
Lo Low (pH 4.5-6) 6.21 13.98 -48.53 1 4 1 44 473.401 4 ↓

Analogs

28541897
28541897

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Popular Name: (2Z)-2-[(2,3-dimethoxyphenyl)methylene]-4-methyl-8-[2-(2-thienyl)ethyl]-7,9-dihydrofuro[2,3-f][1,3]b (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) 4.75 9.51 -10.77 0 6 0 61 463.555 6 ↓
Lo Low (pH 4.5-6) 4.75 12.36 -56.32 1 6 1 62 464.563 6 ↓

Analogs

28541897
28541897

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

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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) 4.76 9.46 -11.29 0 7 0 70 493.581 7 ↓
Lo Low (pH 4.5-6) 4.76 12.3 -58.12 1 7 1 72 494.589 7 ↓

Analogs

28541897
28541897

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Popular Name: (2Z)-2-[(4-dimethylaminophenyl)methylene]-4-methyl-8-[2-(2-thienyl)ethyl]-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) 5.03 10.55 -9.82 0 5 0 46 446.572 5 ↓
Lo Low (pH 4.5-6) 5.03 14.17 -111.08 2 5 0 48 448.588 5 ↓
Lo Low (pH 4.5-6) 5.03 13.42 -50.84 1 5 1 47 447.58 5 ↓

Analogs

28541905
28541905
20663763
20663763
23127137
23127137

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Popular Name: (2Z)-2-(p-tolylmethylene)-8-[2-(2-thienyl)ethyl]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-2-(p-tolylmethylene)-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) 5.00 10.18 -8.55 0 4 0 43 403.503 4 ↓
Lo Low (pH 4.5-6) 5.00 13.02 -50.88 1 4 1 44 404.511 4 ↓

Analogs

28541905
28541905
20649743
20649743
28182864
28182864
20663763
20663763

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Popular Name: (2Z)-2-[(4-fluorophenyl)methylene]-8-[2-(2-thienyl)ethyl]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-on (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) 4.71 9.56 -8.67 0 4 0 43 407.466 4 ↓

Analogs

28541905
28541905
20649743
20649743
28182864
28182864
20663763
20663763

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Popular Name: (2Z)-2-[(4-chlorophenyl)methylene]-8-[2-(2-thienyl)ethyl]-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) 5.23 10.01 -8.15 0 4 0 43 423.921 4 ↓

Analogs

28541905
28541905
28541897
28541897

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(2,4-dichlorophenyl)methylene]-8-[2-(2-thienyl)ethyl]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin- (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) 5.84 10.44 -7.13 0 4 0 43 458.366 4 ↓

Analogs

28541905
28541905
28541897
28541897
20663763
20663763
23127137
23127137

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(2-chlorophenyl)methylene]-8-[2-(2-thienyl)ethyl]-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) 5.18 9.94 -8.58 0 4 0 43 423.921 4 ↓
Lo Low (pH 4.5-6) 5.18 12.79 -54.1 1 4 1 44 424.929 4 ↓

Analogs

28541905
28541905
20649743
20649743
28182864
28182864
20663763
20663763

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(2-fluorophenyl)methylene]-8-[2-(2-thienyl)ethyl]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-on (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) 4.67 9.56 -9.15 0 4 0 43 407.466 4 ↓
Lo Low (pH 4.5-6) 4.67 12.41 -54.97 1 4 1 44 408.474 4 ↓

Analogs

28541905
28541905
20663763
20663763
23127137
23127137

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Popular Name: (2Z)-2-[(2-methoxyphenyl)methylene]-8-[2-(2-thienyl)ethyl]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-o (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) 4.56 8.88 -10 0 5 0 52 419.502 5 ↓
Lo Low (pH 4.5-6) 4.56 11.73 -53.39 1 5 1 53 420.51 5 ↓

Analogs

28541905
28541905
28541897
28541897
20663763
20663763
23127137
23127137

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(3,4-dimethoxyphenyl)methylene]-8-[2-(2-thienyl)ethyl]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin (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) 4.20 8.72 -11.51 0 6 0 61 449.528 6 ↓
Lo Low (pH 4.5-6) 4.20 11.57 -56.32 1 6 1 62 450.536 6 ↓

Analogs

28541905
28541905
28541897
28541897
20663763
20663763
23127137
23127137

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-[2-(2-thienyl)ethyl]-2-[(3,4,5-trimethoxyphenyl)methylene]-7,9-dihydrofuro[2,3-f][1,3]benzoxa (2Z)-8-[2-(2-thienyl)ethyl]-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) 4.18 8.63 -12.66 0 7 0 70 479.554 7 ↓
Lo Low (pH 4.5-6) 4.18 11.48 -58.68 1 7 1 72 480.562 7 ↓

Analogs

28541905
28541905

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Popular Name: (2Z)-2-[(2-chloro-6-fluoro-phenyl)methylene]-8-[2-(2-thienyl)ethyl]-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) 5.30 9.99 -9.53 0 4 0 43 441.911 4 ↓
Lo Low (pH 4.5-6) 5.30 12.84 -49.78 1 4 1 44 442.919 4 ↓

Analogs

28541905
28541905
20663763
20663763
23127137
23127137

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(2,4-dimethoxyphenyl)methylene]-8-[2-(2-thienyl)ethyl]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin (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) 4.59 8.18 -10.51 0 6 0 61 449.528 6 ↓
Lo Low (pH 4.5-6) 4.59 11.05 -55.29 1 6 1 62 450.536 6 ↓

Analogs

28541905
28541905
28541897
28541897
20663763
20663763
23127137
23127137

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(2,5-dimethoxyphenyl)methylene]-8-[2-(2-thienyl)ethyl]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin (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) 4.59 8.16 -10.94 0 6 0 61 449.528 6 ↓
Lo Low (pH 4.5-6) 4.59 11.01 -50.03 1 6 1 62 450.536 6 ↓

Parameters Provided:

ring.id = 329221
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 = 329221 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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