UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

41587595
41587595
41649050
41649050
41649229
41649229
41650250
41650250

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Popular Name: 3-pyridylmethyl-[(2,4,5-trimethoxyphenyl)methylene]BLAHone 3-pyridylmethyl-[(2,4,5-trimetho…

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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 6.34 -14.66 0 8 0 83 460.486 6 ↓
Lo Low (pH 4.5-6) 2.64 1.63 -128.71 2 8 2 85 462.502 6 ↓

Analogs

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Popular Name: (2Z)-2-[[4-(diethylamino)phenyl]methylene]-4-methyl-8-(3-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) 4.24 10.75 -50.65 1 6 0 60 456.566 6 ↓
Mid Mid (pH 6-8) 4.24 10.65 -11.12 0 6 0 59 455.558 6 ↓
Lo Low (pH 4.5-6) 4.24 11.23 -154.79 2 6 0 61 457.574 6 ↓

Analogs

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Popular Name: (2Z)-2-[[4-(diethylamino)phenyl]methylene]-8-(3-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) 3.86 10.1 -51.86 1 6 0 60 442.539 6 ↓
Mid Mid (pH 6-8) 3.86 10 -11.19 0 6 0 59 441.531 6 ↓
Lo Low (pH 4.5-6) 3.86 10.57 -158.79 2 6 0 61 443.547 6 ↓

Analogs

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Popular Name: (2Z)-4-methyl-2-(p-tolylmethylene)-8-(3-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) 3.84 9.03 -10.19 0 5 0 56 398.462 3 ↓
Lo Low (pH 4.5-6) 3.84 9.49 -43.23 1 5 1 57 399.47 3 ↓

Analogs

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Popular Name: (2Z)-2-[(4-fluorophenyl)methylene]-4-methyl-8-(3-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) 3.55 8.43 -10.4 0 5 0 56 402.425 3 ↓
Lo Low (pH 4.5-6) 3.55 8.9 -43.16 1 5 1 57 403.433 3 ↓

Analogs

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Popular Name: (2Z)-2-[(4-chlorophenyl)methylene]-4-methyl-8-(3-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) 4.06 8.87 -9.85 0 5 0 56 418.88 3 ↓
Lo Low (pH 4.5-6) 4.06 9.34 -42.69 1 5 1 57 419.888 3 ↓

Analogs

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Popular Name: (2Z)-2-[(2,4-dichlorophenyl)methylene]-4-methyl-8-(3-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) 4.67 9.29 -9.14 0 5 0 56 453.325 3 ↓
Lo Low (pH 4.5-6) 4.67 9.76 -43.43 1 5 1 57 454.333 3 ↓

Analogs

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Popular Name: (2Z)-2-[(2-chlorophenyl)methylene]-4-methyl-8-(3-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) 4.02 8.78 -10.6 0 5 0 56 418.88 3 ↓
Lo Low (pH 4.5-6) 4.02 9.25 -44.89 1 5 1 57 419.888 3 ↓

Analogs

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Popular Name: (2Z)-2-[(2-fluorophenyl)methylene]-4-methyl-8-(3-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) 3.50 8.4 -11.22 0 5 0 56 402.425 3 ↓
Lo Low (pH 4.5-6) 3.50 8.87 -45.64 1 5 1 57 403.433 3 ↓

Analogs

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Popular Name: (2Z)-2-[(2-methoxyphenyl)methylene]-4-methyl-8-(3-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) 3.40 7.71 -11.84 0 6 0 65 414.461 4 ↓
Lo Low (pH 4.5-6) 3.40 8.18 -45.34 1 6 1 66 415.469 4 ↓

Analogs

12442667
12442667

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Popular Name: (2Z)-4-methyl-8-(3-pyridylmethyl)-2-[(3,4,5-trimethoxyphenyl)methylene]-7,9-dihydrofuro[2,3-f][1,3]b (2Z)-4-methyl-8-(3-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) 3.02 7.5 -14.58 0 8 0 83 474.513 6 ↓
Lo Low (pH 4.5-6) 3.02 7.97 -48.23 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-(3-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) 4.13 8.85 -11.48 0 5 0 56 436.87 3 ↓
Lo Low (pH 4.5-6) 4.13 9.32 -44.49 1 5 1 57 437.878 3 ↓

Analogs

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Popular Name: (2Z)-2-[(2,4-dimethoxyphenyl)methylene]-4-methyl-8-(3-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) 3.43 7 -12.44 0 7 0 74 444.487 5 ↓
Lo Low (pH 4.5-6) 3.43 7.47 -46.57 1 7 1 75 445.495 5 ↓

Analogs

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Popular Name: (2Z)-2-[(2,5-dimethoxyphenyl)methylene]-4-methyl-8-(3-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) 3.43 6.99 -12.24 0 7 0 74 444.487 5 ↓
Lo Low (pH 4.5-6) 3.43 7.46 -44.83 1 7 1 75 445.495 5 ↓

Analogs

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Popular Name: (2Z)-2-[(4-isopropylphenyl)methylene]-4-methyl-8-(3-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) 4.90 10.27 -9.83 0 5 0 56 426.516 4 ↓
Lo Low (pH 4.5-6) 4.90 10.74 -42.96 1 5 1 57 427.524 4 ↓

Analogs

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Popular Name: (2Z)-4-methyl-2-[(3-nitrophenyl)methylene]-8-(3-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) 3.32 9.07 -13.62 0 8 0 101 429.432 4 ↓
Lo Low (pH 4.5-6) 3.32 9.53 -48.97 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) 3.56 8.99 -12.89 0 7 0 82 442.471 5 ↓
Lo Low (pH 4.5-6) 3.56 9.46 -46.66 1 7 1 83 443.479 5 ↓

Analogs

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Popular Name: (2Z)-2-[(2,6-dichlorophenyl)methylene]-4-methyl-8-(3-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) 4.65 9.23 -10.46 0 5 0 56 453.325 3 ↓
Lo Low (pH 4.5-6) 4.65 9.7 -43.62 1 5 1 57 454.333 3 ↓

Analogs

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Popular Name: (2Z)-2-[(4-ethoxyphenyl)methylene]-4-methyl-8-(3-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) 3.82 8.59 -11.34 0 6 0 65 428.488 5 ↓
Lo Low (pH 4.5-6) 3.82 9.06 -44.89 1 6 1 66 429.496 5 ↓

Analogs

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Popular Name: (2Z)-2-[(2-ethoxyphenyl)methylene]-4-methyl-8-(3-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) 3.77 8.66 -11.64 0 6 0 65 428.488 5 ↓
Lo Low (pH 4.5-6) 3.77 9.12 -45.15 1 6 1 66 429.496 5 ↓

Analogs

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Popular Name: (2Z)-2-[(4-methoxyphenyl)methylene]-4-methyl-8-(3-pyridylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxaz (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) 3.44 7.66 -11.48 0 6 0 65 414.461 4 ↓
Lo Low (pH 4.5-6) 3.44 8.13 -44.9 1 6 1 66 415.469 4 ↓

Analogs

12442667
12442667

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Popular Name: (2Z)-2-[(3-methoxyphenyl)methylene]-4-methyl-8-(3-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) 3.42 7.65 -11.45 0 6 0 65 414.461 4 ↓
Lo Low (pH 4.5-6) 3.42 8.12 -43.33 1 6 1 66 415.469 4 ↓

Analogs

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Popular Name: (2Z)-2-benzylidene-4-methyl-8-(3-pyridylmethyl)-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) 3.39 8.35 -10.25 0 5 0 56 384.435 3 ↓
Lo Low (pH 4.5-6) 3.39 8.82 -43.24 1 5 1 57 385.443 3 ↓

Analogs

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Popular Name: (2Z)-4-methyl-8-(3-pyridylmethyl)-2-[(2,4,5-trimethoxyphenyl)methylene]-7,9-dihydrofuro[2,3-f][1,3]b (2Z)-4-methyl-8-(3-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) 3.02 6.88 -14.43 0 8 0 83 474.513 6 ↓
Lo Low (pH 4.5-6) 3.02 7.35 -47.93 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-(3-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) 4.18 8.33 -10.62 0 6 0 65 493.357 4 ↓
Lo Low (pH 4.5-6) 4.18 8.79 -43.08 1 6 1 66 494.365 4 ↓

Analogs

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Popular Name: (2Z)-2-[(2-bromophenyl)methylene]-4-methyl-8-(3-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) 4.15 8.86 -10.53 0 5 0 56 463.331 3 ↓
Lo Low (pH 4.5-6) 4.15 9.33 -44.88 1 5 1 57 464.339 3 ↓

Analogs

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Popular Name: (2Z)-2-[(3-fluorophenyl)methylene]-4-methyl-8-(3-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) 3.53 8.42 -10.76 0 5 0 56 402.425 3 ↓
Lo Low (pH 4.5-6) 3.53 8.89 -42.17 1 5 1 57 403.433 3 ↓

Analogs

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Popular Name: (2Z)-2-[(3-chlorophenyl)methylene]-4-methyl-8-(3-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) 4.04 8.87 -10.21 0 5 0 56 418.88 3 ↓
Lo Low (pH 4.5-6) 4.04 9.34 -41.87 1 5 1 57 419.888 3 ↓

Analogs

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Popular Name: (2Z)-2-[(3-bromophenyl)methylene]-4-methyl-8-(3-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) 4.17 8.96 -10.19 0 5 0 56 463.331 3 ↓
Lo Low (pH 4.5-6) 4.17 9.43 -41.88 1 5 1 57 464.339 3 ↓

Analogs

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Popular Name: (2Z)-4-methyl-2-(m-tolylmethylene)-8-(3-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) 3.81 9.02 -10.15 0 5 0 56 398.462 3 ↓
Lo Low (pH 4.5-6) 3.81 9.48 -43.12 1 5 1 57 399.47 3 ↓

Analogs

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Popular Name: (2Z)-4-methyl-2-(o-tolylmethylene)-8-(3-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) 3.79 8.91 -10.06 0 5 0 56 398.462 3 ↓
Lo Low (pH 4.5-6) 3.79 9.38 -43.05 1 5 1 57 399.47 3 ↓

Analogs

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Popular Name: (2Z)-2-[(4-ethylphenyl)methylene]-4-methyl-8-(3-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) 4.30 9.79 -10.03 0 5 0 56 412.489 4 ↓
Lo Low (pH 4.5-6) 4.30 10.26 -42.99 1 5 1 57 413.497 4 ↓

Analogs

12442667
12442667
12442669
12442669

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Popular Name: (2Z)-2-[(4-tert-butylphenyl)methylene]-4-methyl-8-(3-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) 5.09 10.67 -9.82 0 5 0 56 440.543 4 ↓
Lo Low (pH 4.5-6) 5.09 11.14 -42.9 1 5 1 57 441.551 4 ↓

Analogs

12442667
12442667

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Popular Name: (2Z)-4-methyl-2-[(4-nitrophenyl)methylene]-8-(3-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) 3.35 9.06 -13.08 0 8 0 101 429.432 4 ↓
Lo Low (pH 4.5-6) 3.35 9.53 -46.03 1 8 1 103 430.44 4 ↓

Analogs

12442667
12442667
20650453
20650453

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Popular Name: (2Z)-2-[(4-bromophenyl)methylene]-4-methyl-8-(3-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) 4.20 8.97 -9.77 0 5 0 56 463.331 3 ↓
Lo Low (pH 4.5-6) 4.20 9.44 -42.69 1 5 1 57 464.339 3 ↓

Analogs

12442667
12442667
9422948
9422948

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Popular Name: (2Z)-2-[(3,4-dichlorophenyl)methylene]-4-methyl-8-(3-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) 4.67 9.33 -10.31 0 5 0 56 453.325 3 ↓
Lo Low (pH 4.5-6) 4.67 9.8 -41.93 1 5 1 57 454.333 3 ↓

Analogs

12442667
12442667
13689447
13689447

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Popular Name: (2Z)-2-[(2,3-dimethoxyphenyl)methylene]-4-methyl-8-(3-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) 3.21 7.71 -12.88 0 7 0 74 444.487 5 ↓
Lo Low (pH 4.5-6) 3.21 8.17 -47.4 1 7 1 75 445.495 5 ↓

Analogs

12442667
12442667
13689447
13689447

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Popular Name: (2Z)-4-methyl-8-(3-pyridylmethyl)-2-[(2,3,4-trimethoxyphenyl)methylene]-7,9-dihydrofuro[2,3-f][1,3]b (2Z)-4-methyl-8-(3-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) 3.21 7.66 -13.53 0 8 0 83 474.513 6 ↓
Lo Low (pH 4.5-6) 3.21 8.12 -48.36 1 8 1 85 475.521 6 ↓

Analogs

12442667
12442667
12442669
12442669

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Popular Name: (2Z)-2-[(4-dimethylaminophenyl)methylene]-4-methyl-8-(3-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) 3.49 8.75 -11.65 0 6 0 59 427.504 4 ↓
Lo Low (pH 4.5-6) 3.49 9.52 -51.93 1 6 0 60 428.512 4 ↓

Analogs

12442665
12442665
9423883
9423883

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Popular Name: (2Z)-2-(p-tolylmethylene)-8-(3-pyridylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-2-(p-tolylmethylene)-8-(3-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) 3.46 8.38 -10.34 0 5 0 56 384.435 3 ↓
Lo Low (pH 4.5-6) 3.46 8.84 -43.33 1 5 1 57 385.443 3 ↓

Analogs

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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.17 7.83 -11.24 0 5 0 56 388.398 3 ↓
Lo Low (pH 4.5-6) 3.17 8.3 -42.11 1 5 1 57 389.406 3 ↓

Analogs

9422948
9422948
9423883
9423883
12442665
12442665

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Popular Name: (2Z)-2-[(4-chlorophenyl)methylene]-8-(3-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) 3.69 8.28 -10.76 0 5 0 56 404.853 3 ↓
Lo Low (pH 4.5-6) 3.69 8.75 -41.61 1 5 1 57 405.861 3 ↓

Analogs

9422948
9422948
12442665
12442665
9423883
9423883

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Popular Name: (2Z)-2-[(2,4-dichlorophenyl)methylene]-8-(3-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) 4.29 8.71 -10.04 0 5 0 56 439.298 3 ↓
Lo Low (pH 4.5-6) 4.29 9.18 -42.38 1 5 1 57 440.306 3 ↓

Analogs

9422948
9422948
9423968
9423968
9423653
9423653

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Popular Name: (2Z)-2-[(2-chloro-6-fluoro-phenyl)methylene]-8-(3-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) 3.75 8.19 -11.22 0 5 0 56 422.843 3 ↓
Lo Low (pH 4.5-6) 3.75 8.66 -44.4 1 5 1 57 423.851 3 ↓

Analogs

12442665
12442665
9423883
9423883
8991761
8991761

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Popular Name: (2Z)-2-[(4-isopropylphenyl)methylene]-8-(3-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) 4.52 9.62 -9.98 0 5 0 56 412.489 4 ↓
Lo Low (pH 4.5-6) 4.52 10.08 -43.11 1 5 1 57 413.497 4 ↓

Analogs

12442665
12442665
9423883
9423883
41587271
41587271

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Popular Name: (2Z)-2-[(3-nitrophenyl)methylene]-8-(3-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) 2.94 8.4 -13.86 0 8 0 101 415.405 4 ↓
Lo Low (pH 4.5-6) 2.94 8.87 -49.24 1 8 1 103 416.413 4 ↓

Analogs

9423883
9423883
12442665
12442665
8990894
8990894

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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) 3.18 8.35 -13.07 0 7 0 82 428.444 5 ↓
Lo Low (pH 4.5-6) 3.18 8.82 -46.85 1 7 1 83 429.452 5 ↓

Analogs

9422948
9422948
41587346
41587346

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Popular Name: (2Z)-2-[(2,6-dichlorophenyl)methylene]-8-(3-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) 4.27 8.58 -10.53 0 5 0 56 439.298 3 ↓
Lo Low (pH 4.5-6) 4.27 9.05 -43.7 1 5 1 57 440.306 3 ↓

Analogs

12442665
12442665
9423883
9423883

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Popular Name: (2Z)-2-[(4-ethoxyphenyl)methylene]-8-(3-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) 3.44 7.94 -11.34 0 6 0 65 414.461 5 ↓
Lo Low (pH 4.5-6) 3.44 8.41 -44.98 1 6 1 66 415.469 5 ↓

Analogs

9422980
9422980
8990894
8990894

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Popular Name: (2Z)-2-[(2-ethoxyphenyl)methylene]-8-(3-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) 3.39 8 -11.73 0 6 0 65 414.461 5 ↓
Lo Low (pH 4.5-6) 3.39 8.47 -45.29 1 6 1 66 415.469 5 ↓

Parameters Provided:

ring.id = 7189
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 = 7189 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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