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Analogs

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Popular Name: (2Z)-2-[[4-(diethylamino)phenyl]methylene]-4-methyl-8-(4-pyridylmethyl)-7,9-dihydrofuro[2,3-f][1,3]b (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) 4.19 10.85 -50.93 1 6 0 60 456.566 6 ↓
Mid Mid (pH 6-8) 4.19 10.75 -11.5 0 6 0 59 455.558 6 ↓
Lo Low (pH 4.5-6) 4.19 11.31 -155.97 2 6 0 61 457.574 6 ↓

Analogs

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Popular Name: (2Z)-2-[[4-(diethylamino)phenyl]methylene]-8-(4-pyridylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin (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) 3.81 10.2 -52.12 1 6 0 60 442.539 6 ↓
Mid Mid (pH 6-8) 3.81 10.1 -11.65 0 6 0 59 441.531 6 ↓
Lo Low (pH 4.5-6) 3.81 10.65 -160.24 2 6 0 61 443.547 6 ↓

Analogs

12442669
12442669

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Popular Name: (2Z)-4-methyl-2-(p-tolylmethylene)-8-(4-pyridylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (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) 3.78 9.12 -10.69 0 5 0 56 398.462 3 ↓
Lo Low (pH 4.5-6) 3.78 9.58 -42.62 1 5 1 57 399.47 3 ↓

Analogs

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Popular Name: (2Z)-2-[(4-fluorophenyl)methylene]-4-methyl-8-(4-pyridylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazi (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) 3.50 8.53 -10.85 0 5 0 56 402.425 3 ↓
Lo Low (pH 4.5-6) 3.50 8.99 -42.49 1 5 1 57 403.433 3 ↓

Analogs

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Popular Name: (2Z)-2-[(4-chlorophenyl)methylene]-4-methyl-8-(4-pyridylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazi (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) 4.01 8.97 -10.36 0 5 0 56 418.88 3 ↓
Lo Low (pH 4.5-6) 4.01 9.43 -42.06 1 5 1 57 419.888 3 ↓

Analogs

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Popular Name: (2Z)-2-[(2,4-dichlorophenyl)methylene]-4-methyl-8-(4-pyridylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzo (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) 4.62 9.39 -9.68 0 5 0 56 453.325 3 ↓
Lo Low (pH 4.5-6) 4.62 9.85 -42.6 1 5 1 57 454.333 3 ↓

Analogs

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Popular Name: (2Z)-2-[(2-chlorophenyl)methylene]-4-methyl-8-(4-pyridylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazi (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) 3.96 8.88 -11.07 0 5 0 56 418.88 3 ↓
Lo Low (pH 4.5-6) 3.96 9.34 -44.14 1 5 1 57 419.888 3 ↓

Analogs

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Popular Name: (2Z)-2-[(2-fluorophenyl)methylene]-4-methyl-8-(4-pyridylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazi (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) 3.45 8.5 -11.71 0 5 0 56 402.425 3 ↓
Lo Low (pH 4.5-6) 3.45 8.96 -44.88 1 5 1 57 403.433 3 ↓

Analogs

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Popular Name: (2Z)-2-[(2-methoxyphenyl)methylene]-4-methyl-8-(4-pyridylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxaz (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) 3.34 7.81 -12.39 0 6 0 65 414.461 4 ↓
Lo Low (pH 4.5-6) 3.34 8.27 -44.61 1 6 1 66 415.469 4 ↓

Analogs

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Popular Name: (2Z)-2-[(3,4-dimethoxyphenyl)methylene]-4-methyl-8-(4-pyridylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benz (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) 2.98 7.69 -13.86 0 7 0 74 444.487 5 ↓
Lo Low (pH 4.5-6) 2.98 8.14 -46.42 1 7 1 75 445.495 5 ↓

Analogs

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

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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) 2.96 7.6 -15.16 0 8 0 83 474.513 6 ↓
Lo Low (pH 4.5-6) 2.96 8.05 -47.44 1 8 1 85 475.521 6 ↓

Analogs

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Popular Name: (2Z)-2-[(2-chloro-6-fluoro-phenyl)methylene]-4-methyl-8-(4-pyridylmethyl)-7,9-dihydrofuro[2,3-f][1,3 (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) 4.08 8.95 -11.87 0 5 0 56 436.87 3 ↓
Lo Low (pH 4.5-6) 4.08 9.41 -43.91 1 5 1 57 437.878 3 ↓

Analogs

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Popular Name: (2Z)-2-[(2,4-dimethoxyphenyl)methylene]-4-methyl-8-(4-pyridylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benz (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) 3.38 7.1 -13.03 0 7 0 74 444.487 5 ↓
Lo Low (pH 4.5-6) 3.38 7.55 -45.85 1 7 1 75 445.495 5 ↓

Analogs

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Popular Name: (2Z)-2-[(2,5-dimethoxyphenyl)methylene]-4-methyl-8-(4-pyridylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benz (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) 3.38 7.09 -12.76 0 7 0 74 444.487 5 ↓
Lo Low (pH 4.5-6) 3.38 7.55 -44.17 1 7 1 75 445.495 5 ↓

Analogs

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Popular Name: (2Z)-2-[(4-isopropylphenyl)methylene]-4-methyl-8-(4-pyridylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzox (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) 4.85 10.37 -10.29 0 5 0 56 426.516 4 ↓
Lo Low (pH 4.5-6) 4.85 10.82 -42.32 1 5 1 57 427.524 4 ↓

Analogs

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Popular Name: (2Z)-4-methyl-2-[(3-nitrophenyl)methylene]-8-(4-pyridylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin (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) 3.27 9.16 -14.23 0 8 0 101 429.432 4 ↓
Lo Low (pH 4.5-6) 3.27 9.62 -48.07 1 8 1 103 430.44 4 ↓

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) 3.50 9.09 -13.35 0 7 0 82 442.471 5 ↓
Lo Low (pH 4.5-6) 3.50 9.55 -45.93 1 7 1 83 443.479 5 ↓

Analogs

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Popular Name: (2Z)-2-[(2,6-dichlorophenyl)methylene]-4-methyl-8-(4-pyridylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzo (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) 4.59 9.33 -10.96 0 5 0 56 453.325 3 ↓
Lo Low (pH 4.5-6) 4.59 9.79 -43.01 1 5 1 57 454.333 3 ↓

Analogs

12442669
12442669

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Popular Name: (2Z)-2-[(4-ethoxyphenyl)methylene]-4-methyl-8-(4-pyridylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazi (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) 3.77 8.69 -11.68 0 6 0 65 428.488 5 ↓
Lo Low (pH 4.5-6) 3.77 9.14 -44.2 1 6 1 66 429.496 5 ↓

Analogs

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Popular Name: (2Z)-2-[(2-ethoxyphenyl)methylene]-4-methyl-8-(4-pyridylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazi (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) 3.72 8.75 -12.13 0 6 0 65 428.488 5 ↓
Lo Low (pH 4.5-6) 3.72 9.21 -44.64 1 6 1 66 429.496 5 ↓

Analogs

12442669
12442669

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Popular Name: (2Z)-2-[(3-methoxyphenyl)methylene]-4-methyl-8-(4-pyridylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxaz (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) 3.37 7.75 -11.85 0 6 0 65 414.461 4 ↓
Lo Low (pH 4.5-6) 3.37 8.2 -42.85 1 6 1 66 415.469 4 ↓

Analogs

12442669
12442669

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

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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 8.45 -10.72 0 5 0 56 384.435 3 ↓
Lo Low (pH 4.5-6) 3.33 8.9 -42.63 1 5 1 57 385.443 3 ↓

Analogs

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

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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) 2.96 6.98 -14.92 0 8 0 83 474.513 6 ↓
Lo Low (pH 4.5-6) 2.96 7.44 -47.15 1 8 1 85 475.521 6 ↓

Analogs

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Popular Name: (2Z)-2-[(5-bromo-2-methoxy-phenyl)methylene]-4-methyl-8-(4-pyridylmethyl)-7,9-dihydrofuro[2,3-f][1,3 (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) 4.13 8.42 -11.17 0 6 0 65 493.357 4 ↓
Lo Low (pH 4.5-6) 4.13 8.88 -42.5 1 6 1 66 494.365 4 ↓

Analogs

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Popular Name: (2Z)-2-[(2-bromophenyl)methylene]-4-methyl-8-(4-pyridylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin (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) 4.09 8.96 -11.05 0 5 0 56 463.331 3 ↓
Lo Low (pH 4.5-6) 4.09 9.42 -44.16 1 5 1 57 464.339 3 ↓

Analogs

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Popular Name: (2Z)-2-[(3-fluorophenyl)methylene]-4-methyl-8-(4-pyridylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazi (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) 3.47 8.52 -11.29 0 5 0 56 402.425 3 ↓
Lo Low (pH 4.5-6) 3.47 8.97 -41.55 1 5 1 57 403.433 3 ↓

Analogs

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Popular Name: (2Z)-2-[(3-chlorophenyl)methylene]-4-methyl-8-(4-pyridylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazi (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) 3.99 8.97 -10.68 0 5 0 56 418.88 3 ↓
Lo Low (pH 4.5-6) 3.99 9.42 -41.28 1 5 1 57 419.888 3 ↓

Analogs

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Popular Name: (2Z)-2-[(3-bromophenyl)methylene]-4-methyl-8-(4-pyridylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin (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) 4.12 9.06 -10.68 0 5 0 56 463.331 3 ↓
Lo Low (pH 4.5-6) 4.12 9.52 -41.38 1 5 1 57 464.339 3 ↓

Analogs

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Popular Name: (2Z)-4-methyl-2-(m-tolylmethylene)-8-(4-pyridylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (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) 3.76 9.11 -10.6 0 5 0 56 398.462 3 ↓
Lo Low (pH 4.5-6) 3.76 9.57 -42.5 1 5 1 57 399.47 3 ↓

Analogs

12442669
12442669

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Popular Name: (2Z)-4-methyl-2-(o-tolylmethylene)-8-(4-pyridylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (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) 3.73 9.01 -10.58 0 5 0 56 398.462 3 ↓
Lo Low (pH 4.5-6) 3.73 9.47 -42.44 1 5 1 57 399.47 3 ↓

Analogs

12442669
12442669

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Popular Name: (2Z)-2-[(4-ethylphenyl)methylene]-4-methyl-8-(4-pyridylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin (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) 4.25 9.89 -10.46 0 5 0 56 412.489 4 ↓
Lo Low (pH 4.5-6) 4.25 10.35 -42.35 1 5 1 57 413.497 4 ↓

Analogs

12442669
12442669
9423625
9423625

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Popular Name: (2Z)-2-[(4-tert-butylphenyl)methylene]-4-methyl-8-(4-pyridylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzo (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) 5.04 10.77 -10.27 0 5 0 56 440.543 4 ↓
Lo Low (pH 4.5-6) 5.04 11.23 -42.34 1 5 1 57 441.551 4 ↓

Analogs

12442669
12442669

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Popular Name: (2Z)-4-methyl-2-[(4-nitrophenyl)methylene]-8-(4-pyridylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin (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) 3.29 9.16 -13.58 0 8 0 101 429.432 4 ↓
Lo Low (pH 4.5-6) 3.29 9.62 -45.3 1 8 1 103 430.44 4 ↓

Analogs

12442669
12442669
9422703
9422703

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Popular Name: (2Z)-2-[(4-bromophenyl)methylene]-4-methyl-8-(4-pyridylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin (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) 4.14 9.07 -10.27 0 5 0 56 463.331 3 ↓
Lo Low (pH 4.5-6) 4.14 9.53 -42.01 1 5 1 57 464.339 3 ↓

Analogs

12442669
12442669
9422808
9422808

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Popular Name: (2Z)-2-[(3,4-dichlorophenyl)methylene]-4-methyl-8-(4-pyridylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzo (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) 4.62 9.42 -10.74 0 5 0 56 453.325 3 ↓
Lo Low (pH 4.5-6) 4.62 9.88 -41.37 1 5 1 57 454.333 3 ↓

Analogs

12442669
12442669
8990293
8990293

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Popular Name: (2Z)-2-[(2,3-dimethoxyphenyl)methylene]-4-methyl-8-(4-pyridylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benz (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) 3.15 7.8 -13.38 0 7 0 74 444.487 5 ↓
Lo Low (pH 4.5-6) 3.15 8.26 -46.61 1 7 1 75 445.495 5 ↓

Analogs

12442669
12442669
8990293
8990293

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

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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 7.75 -14.04 0 8 0 83 474.513 6 ↓
Lo Low (pH 4.5-6) 3.16 8.21 -47.62 1 8 1 85 475.521 6 ↓

Analogs

12442669
12442669

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Popular Name: (2Z)-2-[(4-dimethylaminophenyl)methylene]-4-methyl-8-(4-pyridylmethyl)-7,9-dihydrofuro[2,3-f][1,3]be (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) 3.44 8.84 -12.07 0 6 0 59 427.504 4 ↓
Lo Low (pH 4.5-6) 3.44 9.62 -51.97 1 6 0 60 428.512 4 ↓

Analogs

9423372
9423372
9422600
9422600

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Popular Name: (2Z)-2-(p-tolylmethylene)-8-(4-pyridylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-2-(p-tolylmethylene)-8-(4-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) 3.41 8.47 -10.77 0 5 0 56 384.435 3 ↓
Lo Low (pH 4.5-6) 3.41 8.93 -42.67 1 5 1 57 385.443 3 ↓

Analogs

9422808
9422808
8993000
8993000
9422600
9422600

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Popular Name: (2Z)-2-[(4-chlorophenyl)methylene]-8-(4-pyridylmethyl)-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) 3.63 8.32 -10.43 0 5 0 56 404.853 3 ↓
Lo Low (pH 4.5-6) 3.63 8.77 -42.23 1 5 1 57 405.861 3 ↓

Analogs

8993000
8993000
9422808
9422808
9423372
9423372

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Popular Name: (2Z)-2-[(2,4-dichlorophenyl)methylene]-8-(4-pyridylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-o (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) 4.24 8.75 -9.71 0 5 0 56 439.298 3 ↓
Lo Low (pH 4.5-6) 4.24 9.21 -42.87 1 5 1 57 440.306 3 ↓

Analogs

8993096
8993096
9422600
9422600

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Popular Name: (2Z)-2-[(2-fluorophenyl)methylene]-8-(4-pyridylmethyl)-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) 3.07 7.85 -11.77 0 5 0 56 388.398 3 ↓
Lo Low (pH 4.5-6) 3.07 8.31 -45.06 1 5 1 57 389.406 3 ↓

Analogs

8993000
8993000
8993096
8993096
9422808
9422808

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Popular Name: (2Z)-2-[(2-chloro-6-fluoro-phenyl)methylene]-8-(4-pyridylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxaz (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) 3.70 8.29 -11.63 0 5 0 56 422.843 3 ↓
Lo Low (pH 4.5-6) 3.70 8.74 -43.87 1 5 1 57 423.851 3 ↓

Analogs

9422600
9422600
9423372
9423372

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Popular Name: (2Z)-2-[(4-isopropylphenyl)methylene]-8-(4-pyridylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-on (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) 4.47 9.71 -10.37 0 5 0 56 412.489 4 ↓
Lo Low (pH 4.5-6) 4.47 10.17 -42.48 1 5 1 57 413.497 4 ↓

Analogs

9423372
9423372
9422600
9422600

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Popular Name: (2Z)-2-[(3-nitrophenyl)methylene]-8-(4-pyridylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-2-[(3-nitrophenyl)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) 2.89 8.5 -14.36 0 8 0 101 415.405 4 ↓
Lo Low (pH 4.5-6) 2.89 8.96 -48.52 1 8 1 103 416.413 4 ↓

Analogs

9423372
9423372
9422600
9422600

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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) 3.13 8.44 -13.49 0 7 0 82 428.444 5 ↓
Lo Low (pH 4.5-6) 3.13 8.9 -46.18 1 7 1 83 429.452 5 ↓

Analogs

8993000
8993000

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Popular Name: (2Z)-2-[(2,6-dichlorophenyl)methylene]-8-(4-pyridylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-o (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) 4.22 8.68 -11.02 0 5 0 56 439.298 3 ↓
Lo Low (pH 4.5-6) 4.22 9.14 -43.11 1 5 1 57 440.306 3 ↓

Analogs

9423372
9423372
9422600
9422600

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Popular Name: (2Z)-2-[(4-ethoxyphenyl)methylene]-8-(4-pyridylmethyl)-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) 3.39 8.04 -11.85 0 6 0 65 414.461 5 ↓
Lo Low (pH 4.5-6) 3.39 8.49 -44.35 1 6 1 66 415.469 5 ↓

Analogs

9423861
9423861
9423042
9423042

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Popular Name: (2Z)-2-[(2-ethoxyphenyl)methylene]-8-(4-pyridylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (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) 3.34 8.1 -12.24 0 6 0 65 414.461 5 ↓
Lo Low (pH 4.5-6) 3.34 8.56 -44.69 1 6 1 66 415.469 5 ↓

Analogs

8993096
8993096
9423372
9423372
9422600
9422600

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(3-fluorophenyl)methylene]-8-(4-pyridylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (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) 3.10 7.86 -11.03 0 5 0 56 388.398 3 ↓
Lo Low (pH 4.5-6) 3.10 8.32 -43.96 1 5 1 57 389.406 3 ↓

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
page.num = 1

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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 = 329215 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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