UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (2Z)-2-[[4-(diethylamino)phenyl]methylene]-4-methyl-8-(3-morpholinopropyl)-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) 4.22 8.94 -47.21 1 7 0 60 492.64 8 ↓
Mid Mid (pH 6-8) 4.22 11.08 -48.11 1 7 1 60 492.64 8 ↓
Mid Mid (pH 6-8) 4.22 11.19 -131.72 2 7 0 61 493.648 8 ↓

Analogs

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Popular Name: (2Z)-2-[[4-(diethylamino)phenyl]methylene]-8-(3-morpholinopropyl)-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) 3.85 8.28 -50.74 1 7 0 60 478.613 8 ↓
Mid Mid (pH 6-8) 3.85 10.55 -135.45 2 7 0 61 479.621 8 ↓
Mid Mid (pH 6-8) 3.85 8.18 -10.29 0 7 0 58 477.605 8 ↓

Analogs

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

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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) 3.82 7.21 -9.38 0 6 0 55 434.536 5 ↓
Mid Mid (pH 6-8) 3.82 9.47 -47.13 1 6 1 56 435.544 5 ↓

Analogs

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Popular Name: (2Z)-2-[(4-fluorophenyl)methylene]-4-methyl-8-(3-morpholinopropyl)-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) 3.53 6.61 -9.42 0 6 0 55 438.499 5 ↓
Mid Mid (pH 6-8) 3.53 8.89 -46.8 1 6 1 56 439.507 5 ↓

Analogs

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Popular Name: (2Z)-2-[(4-chlorophenyl)methylene]-4-methyl-8-(3-morpholinopropyl)-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) 4.05 7.05 -8.94 0 6 0 55 454.954 5 ↓
Mid Mid (pH 6-8) 4.05 9.31 -46.34 1 6 1 56 455.962 5 ↓

Analogs

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Popular Name: (2Z)-2-[(2,4-dichlorophenyl)methylene]-4-methyl-8-(3-morpholinopropyl)-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) 4.66 7.47 -7.91 0 6 0 55 489.399 5 ↓
Mid Mid (pH 6-8) 4.66 9.74 -47 1 6 1 56 490.407 5 ↓

Analogs

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Popular Name: (2Z)-2-[(2-chlorophenyl)methylene]-4-methyl-8-(3-morpholinopropyl)-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) 4.00 6.96 -9.49 0 6 0 55 454.954 5 ↓
Mid Mid (pH 6-8) 4.00 9.23 -48.7 1 6 1 56 455.962 5 ↓

Analogs

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Popular Name: (2Z)-2-[(2-fluorophenyl)methylene]-4-methyl-8-(3-morpholinopropyl)-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) 3.49 6.58 -10.04 0 6 0 55 438.499 5 ↓
Mid Mid (pH 6-8) 3.49 8.84 -49.48 1 6 1 56 439.507 5 ↓

Analogs

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Popular Name: (2Z)-2-[(2-methoxyphenyl)methylene]-4-methyl-8-(3-morpholinopropyl)-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) 3.38 5.89 -10.85 0 7 0 64 450.535 6 ↓
Mid Mid (pH 6-8) 3.38 8.15 -49.22 1 7 1 66 451.543 6 ↓

Analogs

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Popular Name: (2Z)-2-[(3,4-dimethoxyphenyl)methylene]-4-methyl-8-(3-morpholinopropyl)-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) 3.02 5.77 -12.27 0 8 0 74 480.561 7 ↓
Mid Mid (pH 6-8) 3.02 8.03 -50.94 1 8 1 75 481.569 7 ↓

Analogs

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

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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) 3.00 5.68 -13.61 0 9 0 83 510.587 8 ↓
Mid Mid (pH 6-8) 3.00 7.94 -51.8 1 9 1 84 511.595 8 ↓

Analogs

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Popular Name: (2Z)-2-[(2-chloro-6-fluoro-phenyl)methylene]-4-methyl-8-(3-morpholinopropyl)-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) 4.12 7.03 -10.71 0 6 0 55 472.944 5 ↓
Mid Mid (pH 6-8) 4.12 9.29 -48.53 1 6 1 56 473.952 5 ↓

Analogs

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Popular Name: (2Z)-2-[(2,4-dimethoxyphenyl)methylene]-4-methyl-8-(3-morpholinopropyl)-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) 3.41 5.18 -11.45 0 8 0 74 480.561 7 ↓
Mid Mid (pH 6-8) 3.41 7.44 -50.51 1 8 1 75 481.569 7 ↓

Analogs

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Popular Name: (2Z)-2-[(2,5-dimethoxyphenyl)methylene]-4-methyl-8-(3-morpholinopropyl)-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) 3.41 5.17 -11.68 0 8 0 74 480.561 7 ↓
Mid Mid (pH 6-8) 3.41 7.44 -48.69 1 8 1 75 481.569 7 ↓

Analogs

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Popular Name: (2Z)-2-[(4-isopropylphenyl)methylene]-4-methyl-8-(3-morpholinopropyl)-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) 4.88 8.45 -8.95 0 6 0 55 462.59 6 ↓
Mid Mid (pH 6-8) 4.88 10.71 -46.89 1 6 1 56 463.598 6 ↓

Analogs

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

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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) 3.31 7.25 -12.21 0 9 0 101 465.506 6 ↓
Mid Mid (pH 6-8) 3.31 9.51 -52.58 1 9 1 102 466.514 6 ↓

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) 3.54 7.17 -11.84 0 8 0 81 478.545 7 ↓
Mid Mid (pH 6-8) 3.54 9.43 -50.31 1 8 1 83 479.553 7 ↓

Analogs

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Popular Name: (2Z)-2-[(2,6-dichlorophenyl)methylene]-4-methyl-8-(3-morpholinopropyl)-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) 4.63 7.41 -9.69 0 6 0 55 489.399 5 ↓
Mid Mid (pH 6-8) 4.63 9.68 -47.56 1 6 1 56 490.407 5 ↓

Analogs

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Popular Name: (2Z)-2-[(4-ethoxyphenyl)methylene]-4-methyl-8-(3-morpholinopropyl)-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) 3.80 6.77 -10.32 0 7 0 64 464.562 7 ↓
Mid Mid (pH 6-8) 3.80 9.03 -48.82 1 7 1 66 465.57 7 ↓

Analogs

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Popular Name: (2Z)-2-[(2-ethoxyphenyl)methylene]-4-methyl-8-(3-morpholinopropyl)-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) 3.75 6.84 -10.67 0 7 0 64 464.562 7 ↓
Mid Mid (pH 6-8) 3.75 9.1 -49.16 1 7 1 66 465.57 7 ↓

Analogs

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Popular Name: (2Z)-2-[(4-methoxyphenyl)methylene]-4-methyl-8-(3-morpholinopropyl)-7,9-dihydrofuro[2,3-f][1,3]benzo (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) 3.43 5.84 -10.53 0 7 0 64 450.535 6 ↓
Mid Mid (pH 6-8) 3.43 8.11 -48.9 1 7 1 66 451.543 6 ↓

Analogs

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Popular Name: (2Z)-2-[(3-methoxyphenyl)methylene]-4-methyl-8-(3-morpholinopropyl)-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) 3.40 5.83 -10.89 0 7 0 64 450.535 6 ↓
Mid Mid (pH 6-8) 3.40 8.09 -47.32 1 7 1 66 451.543 6 ↓

Analogs

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Popular Name: (2Z)-2-benzylidene-4-methyl-8-(3-morpholinopropyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-2-benzylidene-4-methyl-8-(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) 3.37 6.53 -9.37 0 6 0 55 420.509 5 ↓
Mid Mid (pH 6-8) 3.37 8.79 -47.14 1 6 1 56 421.517 5 ↓

Analogs

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

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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) 3.00 5.06 -13.49 0 9 0 83 510.587 8 ↓
Mid Mid (pH 6-8) 3.00 7.33 -51.64 1 9 1 84 511.595 8 ↓

Analogs

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Popular Name: (2Z)-2-[(2-bromophenyl)methylene]-4-methyl-8-(3-morpholinopropyl)-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) 4.13 7.04 -9.41 0 6 0 55 499.405 5 ↓
Mid Mid (pH 6-8) 4.13 9.31 -48.7 1 6 1 56 500.413 5 ↓

Analogs

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Popular Name: (2Z)-2-[(3-fluorophenyl)methylene]-4-methyl-8-(3-morpholinopropyl)-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) 3.51 6.6 -10.27 0 6 0 55 438.499 5 ↓
Mid Mid (pH 6-8) 3.51 8.86 -45.8 1 6 1 56 439.507 5 ↓

Analogs

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Popular Name: (2Z)-2-[(3-chlorophenyl)methylene]-4-methyl-8-(3-morpholinopropyl)-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) 4.03 7.05 -9.55 0 6 0 55 454.954 5 ↓
Mid Mid (pH 6-8) 4.03 9.32 -45.57 1 6 1 56 455.962 5 ↓

Analogs

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Popular Name: (2Z)-2-[(3-bromophenyl)methylene]-4-methyl-8-(3-morpholinopropyl)-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) 4.16 7.14 -9.61 0 6 0 55 499.405 5 ↓
Mid Mid (pH 6-8) 4.16 9.41 -45.62 1 6 1 56 500.413 5 ↓

Analogs

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

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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) 3.80 7.19 -9.2 0 6 0 55 434.536 5 ↓
Mid Mid (pH 6-8) 3.80 9.46 -47.01 1 6 1 56 435.544 5 ↓

Analogs

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

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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 7.09 -9.15 0 6 0 55 434.536 5 ↓
Mid Mid (pH 6-8) 3.77 9.35 -46.88 1 6 1 56 435.544 5 ↓

Analogs

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Popular Name: (2Z)-2-[(4-ethylphenyl)methylene]-4-methyl-8-(3-morpholinopropyl)-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) 4.29 7.97 -9.14 0 6 0 55 448.563 6 ↓
Mid Mid (pH 6-8) 4.29 10.23 -46.89 1 6 1 56 449.571 6 ↓

Analogs

12442511
12442511
12442513
12442513
12442578
12442578

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Popular Name: (2Z)-2-[(4-tert-butylphenyl)methylene]-4-methyl-8-(3-morpholinopropyl)-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) 5.08 8.85 -8.96 0 6 0 55 476.617 6 ↓
Mid Mid (pH 6-8) 5.08 11.11 -46.76 1 6 1 56 477.625 6 ↓

Analogs

12442578
12442578
12442513
12442513
12442511
12442511

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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.33 7.24 -12.02 0 9 0 101 465.506 6 ↓
Mid Mid (pH 6-8) 3.33 9.51 -49.35 1 9 1 102 466.514 6 ↓

Analogs

12442578
12442578
12442511
12442511
12442513
12442513

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Popular Name: (2Z)-2-[(4-bromophenyl)methylene]-4-methyl-8-(3-morpholinopropyl)-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) 4.18 7.15 -8.87 0 6 0 55 499.405 5 ↓
Mid Mid (pH 6-8) 4.18 9.42 -46.23 1 6 1 56 500.413 5 ↓

Analogs

12442513
12442513
12442511
12442511
12442578
12442578

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Popular Name: (2Z)-2-[(3,4-dichlorophenyl)methylene]-4-methyl-8-(3-morpholinopropyl)-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) 4.66 7.51 -9.6 0 6 0 55 489.399 5 ↓
Mid Mid (pH 6-8) 4.66 9.77 -45.49 1 6 1 56 490.407 5 ↓

Analogs

20677366
20677366
12442578
12442578
12442511
12442511

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Popular Name: (2Z)-2-[(2,3-dimethoxyphenyl)methylene]-4-methyl-8-(3-morpholinopropyl)-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) 3.19 5.88 -11.77 0 8 0 74 480.561 7 ↓
Mid Mid (pH 6-8) 3.19 8.16 -51.18 1 8 1 75 481.569 7 ↓

Analogs

20677366
20677366
12442578
12442578
12442511
12442511

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

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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 5.84 -12.32 0 9 0 83 510.587 8 ↓
Mid Mid (pH 6-8) 3.20 8.1 -52.18 1 9 1 84 511.595 8 ↓

Analogs

12442578
12442578

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Popular Name: (2Z)-2-[(4-dimethylaminophenyl)methylene]-4-methyl-8-(3-morpholinopropyl)-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) 3.47 6.92 -10.69 0 7 0 58 463.578 6 ↓
Mid Mid (pH 6-8) 3.47 9.19 -48.55 1 7 1 60 464.586 6 ↓
Lo Low (pH 4.5-6) 3.47 9.96 -130.8 2 7 0 61 465.594 6 ↓

Analogs

20713705
20713705
32502141
32502141
20713915
20713915

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Popular Name: (2Z)-8-(3-morpholinopropyl)-2-(p-tolylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-8-(3-morpholinopropyl)-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) 3.44 6.56 -9.42 0 6 0 55 420.509 5 ↓
Mid Mid (pH 6-8) 3.44 8.82 -47.19 1 6 1 56 421.517 5 ↓

Analogs

20713705
20713705

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Popular Name: (2Z)-2-[(4-fluorophenyl)methylene]-8-(3-morpholinopropyl)-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) 3.16 5.95 -9.45 0 6 0 55 424.472 5 ↓
Mid Mid (pH 6-8) 3.16 8.21 -47.01 1 6 1 56 425.48 5 ↓

Analogs

20713705
20713705
20677891
20677891
32502141
32502141

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Popular Name: (2Z)-2-[(4-chlorophenyl)methylene]-8-(3-morpholinopropyl)-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) 3.67 6.4 -8.95 0 6 0 55 440.927 5 ↓
Mid Mid (pH 6-8) 3.67 8.66 -46.54 1 6 1 56 441.935 5 ↓

Analogs

20713705
20713705
32502141
32502141

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Popular Name: (2Z)-2-[(2,4-dichlorophenyl)methylene]-8-(3-morpholinopropyl)-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) 4.28 6.83 -8 0 6 0 55 475.372 5 ↓
Mid Mid (pH 6-8) 4.28 9.1 -47.23 1 6 1 56 476.38 5 ↓

Analogs

20713705
20713705
32502141
32502141

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Popular Name: (2Z)-2-[(2-chlorophenyl)methylene]-8-(3-morpholinopropyl)-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) 3.62 6.32 -9.53 0 6 0 55 440.927 5 ↓
Mid Mid (pH 6-8) 3.62 8.58 -48.83 1 6 1 56 441.935 5 ↓

Analogs

20713705
20713705

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Popular Name: (2Z)-2-[(2-fluorophenyl)methylene]-8-(3-morpholinopropyl)-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) 3.11 5.94 -10.03 0 6 0 55 424.472 5 ↓
Mid Mid (pH 6-8) 3.11 8.2 -49.6 1 6 1 56 425.48 5 ↓

Analogs

20713915
20713915
20677891
20677891

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Popular Name: (2Z)-2-[(2-methoxyphenyl)methylene]-8-(3-morpholinopropyl)-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) 3.00 5.26 -10.88 0 7 0 64 436.508 6 ↓
Mid Mid (pH 6-8) 3.00 7.52 -49.51 1 7 1 66 437.516 6 ↓

Analogs

32502144
32502144
32502141
32502141
20677366
20677366
12442612
12442612

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Popular Name: (2Z)-2-[(3,4-dimethoxyphenyl)methylene]-8-(3-morpholinopropyl)-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) 2.64 5.1 -12.42 0 8 0 74 466.534 7 ↓
Mid Mid (pH 6-8) 2.64 7.37 -51.13 1 8 1 75 467.542 7 ↓

Analogs

32502144
32502144
32502141
32502141
20677366
20677366
12442612
12442612

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Popular Name: (2Z)-8-(3-morpholinopropyl)-2-[(3,4,5-trimethoxyphenyl)methylene]-7,9-dihydrofuro[2,3-f][1,3]benzoxa (2Z)-8-(3-morpholinopropyl)-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) 2.62 5.01 -13.55 0 9 0 83 496.56 8 ↓
Mid Mid (pH 6-8) 2.62 7.27 -52.34 1 9 1 84 497.568 8 ↓

Analogs

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Popular Name: (2Z)-2-[(2-chloro-6-fluoro-phenyl)methylene]-8-(3-morpholinopropyl)-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) 3.74 6.37 -10.37 0 6 0 55 458.917 5 ↓
Mid Mid (pH 6-8) 3.74 8.63 -48.42 1 6 1 56 459.925 5 ↓

Analogs

20713915
20713915
20677891
20677891

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Popular Name: (2Z)-2-[(2,4-dimethoxyphenyl)methylene]-8-(3-morpholinopropyl)-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) 3.04 4.55 -11.42 0 8 0 74 466.534 7 ↓
Mid Mid (pH 6-8) 3.04 6.82 -50.68 1 8 1 75 467.542 7 ↓

Analogs

20714163
20714163
20677366
20677366

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Popular Name: (2Z)-2-[(2,5-dimethoxyphenyl)methylene]-8-(3-morpholinopropyl)-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) 3.04 4.53 -11.68 0 8 0 74 466.534 7 ↓
Mid Mid (pH 6-8) 3.04 6.8 -48.83 1 8 1 75 467.542 7 ↓

Parameters Provided:

ring.id = 329217
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 329217 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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