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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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

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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) 5.48 11.7 -45.7 1 5 0 47 433.572 5 ↓
Mid Mid (pH 6-8) 5.48 14.45 -103.06 2 5 0 48 434.58 5 ↓
Mid Mid (pH 6-8) 5.48 11.58 -8.22 0 5 0 46 432.564 5 ↓

Analogs

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Popular Name: (2Z)-8-cyclopentyl-2-[[4-(diethylamino)phenyl]methylene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-8-cyclopentyl-2-[[4-(diethy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.10 11.05 -46.76 1 5 0 47 419.545 5 ↓
Mid Mid (pH 6-8) 5.10 10.94 -8.23 0 5 0 46 418.537 5 ↓
Lo Low (pH 4.5-6) 5.10 13.8 -107.22 2 5 0 48 420.553 5 ↓

Analogs

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Popular Name: (2Z)-8-cyclopentyl-4-methyl-2-(p-tolylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-8-cyclopentyl-4-methyl-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) 5.07 9.97 -7.31 0 4 0 43 375.468 2 ↓
Mid Mid (pH 6-8) 5.07 12.72 -43.72 1 4 1 44 376.476 2 ↓

Analogs

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Popular Name: (2Z)-8-cyclopentyl-2-[(4-fluorophenyl)methylene]-4-methyl-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-on (2Z)-8-cyclopentyl-2-[(4-fluorop…

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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) 4.79 9.12 -7.08 0 4 0 43 379.431 2 ↓
Mid Mid (pH 6-8) 4.79 12.09 -44.62 1 4 1 44 380.439 2 ↓

Analogs

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Popular Name: (2Z)-2-[(4-chlorophenyl)methylene]-8-cyclopentyl-4-methyl-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-on (2Z)-2-[(4-chlorophenyl)methylen…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.30 9.56 -6.61 0 4 0 43 395.886 2 ↓
Mid Mid (pH 6-8) 5.30 12.54 -44.01 1 4 1 44 396.894 2 ↓

Analogs

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Popular Name: (2Z)-8-cyclopentyl-2-[(2,4-dichlorophenyl)methylene]-4-methyl-7,9-dihydrofuro[2,3-f][1,3]benzoxazin- (2Z)-8-cyclopentyl-2-[(2,4-dichl…

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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) 5.91 9.99 -5.44 0 4 0 43 430.331 2 ↓
Mid Mid (pH 6-8) 5.91 12.97 -46.21 1 4 1 44 431.339 2 ↓

Analogs

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Popular Name: (2Z)-2-[(2-chlorophenyl)methylene]-8-cyclopentyl-4-methyl-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-on (2Z)-2-[(2-chlorophenyl)methylen…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.25 9.48 -7.09 0 4 0 43 395.886 2 ↓
Mid Mid (pH 6-8) 5.25 12.45 -46.68 1 4 1 44 396.894 2 ↓

Analogs

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Popular Name: (2Z)-8-cyclopentyl-2-[(2-fluorophenyl)methylene]-4-methyl-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-on (2Z)-8-cyclopentyl-2-[(2-fluorop…

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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) 4.74 9.09 -7.62 0 4 0 43 379.431 2 ↓
Mid Mid (pH 6-8) 4.74 12.07 -47.56 1 4 1 44 380.439 2 ↓

Analogs

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Popular Name: (2Z)-8-cyclopentyl-2-[(2-methoxyphenyl)methylene]-4-methyl-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-o (2Z)-8-cyclopentyl-2-[(2-methoxy…

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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 8.4 -8.56 0 5 0 52 391.467 3 ↓
Mid Mid (pH 6-8) 4.63 11.38 -45.91 1 5 1 53 392.475 3 ↓

Analogs

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Popular Name: (2Z)-8-cyclopentyl-2-[(3,4-dimethoxyphenyl)methylene]-4-methyl-7,9-dihydrofuro[2,3-f][1,3]benzoxazin (2Z)-8-cyclopentyl-2-[(3,4-dimet…

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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 8.53 -10.2 0 6 0 61 421.493 4 ↓
Mid Mid (pH 6-8) 4.27 11.29 -48.73 1 6 1 62 422.501 4 ↓

Analogs

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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.25 8.44 -11.28 0 7 0 70 451.519 5 ↓
Mid Mid (pH 6-8) 4.25 11.2 -51.11 1 7 1 72 452.527 5 ↓

Analogs

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Popular Name: (2Z)-2-[(2-chloro-6-fluoro-phenyl)methylene]-8-cyclopentyl-4-methyl-7,9-dihydrofuro[2,3-f][1,3]benzo (2Z)-2-[(2-chloro-6-fluoro-pheny…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.37 9.79 -8.72 0 4 0 43 413.876 2 ↓
Mid Mid (pH 6-8) 5.37 12.55 -42.64 1 4 1 44 414.884 2 ↓

Analogs

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Popular Name: (2Z)-8-cyclopentyl-2-[(2,4-dimethoxyphenyl)methylene]-4-methyl-7,9-dihydrofuro[2,3-f][1,3]benzoxazin (2Z)-8-cyclopentyl-2-[(2,4-dimet…

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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 7.69 -8.97 0 6 0 61 421.493 4 ↓
Mid Mid (pH 6-8) 4.66 10.68 -47.84 1 6 1 62 422.501 4 ↓

Analogs

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Popular Name: (2Z)-8-cyclopentyl-2-[(2,5-dimethoxyphenyl)methylene]-4-methyl-7,9-dihydrofuro[2,3-f][1,3]benzoxazin (2Z)-8-cyclopentyl-2-[(2,5-dimet…

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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 7.69 -9.63 0 6 0 61 421.493 4 ↓
Mid Mid (pH 6-8) 4.66 10.67 -42.97 1 6 1 62 422.501 4 ↓

Analogs

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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 6.14 10.96 -6.7 0 4 0 43 403.522 3 ↓
Mid Mid (pH 6-8) 6.14 13.94 -43.68 1 4 1 44 404.53 3 ↓

Analogs

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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.56 9.76 -9.63 0 7 0 89 406.438 3 ↓
Mid Mid (pH 6-8) 4.56 12.74 -53.59 1 7 1 90 407.446 3 ↓

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) 4.79 9.68 -9.4 0 6 0 69 419.477 4 ↓
Mid Mid (pH 6-8) 4.79 12.67 -45.47 1 6 1 70 420.485 4 ↓

Analogs

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Popular Name: (2Z)-8-cyclopentyl-2-[(2,6-dichlorophenyl)methylene]-4-methyl-7,9-dihydrofuro[2,3-f][1,3]benzoxazin- (2Z)-8-cyclopentyl-2-[(2,6-dichl…

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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) 5.88 9.93 -7.43 0 4 0 43 430.331 2 ↓
Mid Mid (pH 6-8) 5.88 12.91 -41.87 1 4 1 44 431.339 2 ↓

Analogs

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Popular Name: (2Z)-8-cyclopentyl-2-[(4-ethoxyphenyl)methylene]-4-methyl-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-on (2Z)-8-cyclopentyl-2-[(4-ethoxyp…

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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) 5.06 9.53 -8.14 0 5 0 52 405.494 4 ↓
Mid Mid (pH 6-8) 5.06 12.29 -45.97 1 5 1 53 406.502 4 ↓

Analogs

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Popular Name: (2Z)-8-cyclopentyl-2-[(2-ethoxyphenyl)methylene]-4-methyl-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-on (2Z)-8-cyclopentyl-2-[(2-ethoxyp…

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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) 5.01 9.35 -8.29 0 5 0 52 405.494 4 ↓
Mid Mid (pH 6-8) 5.01 12.33 -45.81 1 5 1 53 406.502 4 ↓

Analogs

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Popular Name: (2Z)-8-cyclopentyl-2-[(4-methoxyphenyl)methylene]-4-methyl-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-o (2Z)-8-cyclopentyl-2-[(4-methoxy…

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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) 4.68 8.36 -8.15 0 5 0 52 391.467 3 ↓
Mid Mid (pH 6-8) 4.68 11.34 -45.93 1 5 1 53 392.475 3 ↓

Analogs

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Popular Name: (2Z)-8-cyclopentyl-2-[(3-methoxyphenyl)methylene]-4-methyl-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-o (2Z)-8-cyclopentyl-2-[(3-methoxy…

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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 8.34 -8.86 0 5 0 52 391.467 3 ↓
Mid Mid (pH 6-8) 4.66 11.32 -41.28 1 5 1 53 392.475 3 ↓

Analogs

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

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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 9.04 -7.1 0 4 0 43 361.441 2 ↓
Mid Mid (pH 6-8) 4.62 12.02 -43.69 1 4 1 44 362.449 2 ↓

Analogs

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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.25 7.58 -11.05 0 7 0 70 451.519 5 ↓
Mid Mid (pH 6-8) 4.25 10.62 -49.02 1 7 1 72 452.527 5 ↓

Analogs

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Popular Name: (2Z)-2-[(5-bromo-2-methoxy-phenyl)methylene]-8-cyclopentyl-4-methyl-7,9-dihydrofuro[2,3-f][1,3]benzo (2Z)-2-[(5-bromo-2-methoxy-pheny…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.42 9.02 -7.77 0 5 0 52 470.363 3 ↓
Mid Mid (pH 6-8) 5.42 12 -42.14 1 5 1 53 471.371 3 ↓

Analogs

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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.38 9.55 -6.95 0 4 0 43 440.337 2 ↓
Mid Mid (pH 6-8) 5.38 12.54 -46.81 1 4 1 44 441.345 2 ↓

Analogs

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Popular Name: (2Z)-8-cyclopentyl-2-[(3-fluorophenyl)methylene]-4-methyl-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-on (2Z)-8-cyclopentyl-2-[(3-fluorop…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.76 9.11 -8.22 0 4 0 43 379.431 2 ↓
Mid Mid (pH 6-8) 4.76 12.09 -40.8 1 4 1 44 380.439 2 ↓

Analogs

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Popular Name: (2Z)-2-[(3-chlorophenyl)methylene]-8-cyclopentyl-4-methyl-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-on (2Z)-2-[(3-chlorophenyl)methylen…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.28 9.56 -7.47 0 4 0 43 395.886 2 ↓
Mid Mid (pH 6-8) 5.28 12.56 -45.74 1 4 1 44 396.894 2 ↓

Analogs

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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.41 9.66 -7.44 0 4 0 43 440.337 2 ↓
Mid Mid (pH 6-8) 5.41 12.66 -45.7 1 4 1 44 441.345 2 ↓

Analogs

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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.05 9.71 -6.9 0 4 0 43 375.468 2 ↓
Mid Mid (pH 6-8) 5.05 12.69 -43.61 1 4 1 44 376.476 2 ↓

Analogs

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

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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) 5.02 9.6 -6.93 0 4 0 43 375.468 2 ↓
Mid Mid (pH 6-8) 5.02 12.58 -43.36 1 4 1 44 376.476 2 ↓

Analogs

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Popular Name: (2Z)-8-cyclopentyl-2-[(4-ethylphenyl)methylene]-4-methyl-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-8-cyclopentyl-2-[(4-ethylph…

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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) 5.54 10.48 -6.83 0 4 0 43 389.495 3 ↓
Mid Mid (pH 6-8) 5.54 13.46 -43.5 1 4 1 44 390.503 3 ↓

Analogs

12442513
12442513
12442511
12442511
12442578
12442578

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Popular Name: (2Z)-2-[(4-tert-butylphenyl)methylene]-8-cyclopentyl-4-methyl-7,9-dihydrofuro[2,3-f][1,3]benzoxazin- (2Z)-2-[(4-tert-butylphenyl)meth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 6.33 11.61 -6.9 0 4 0 43 417.549 3 ↓
Mid Mid (pH 6-8) 6.33 14.37 -43.7 1 4 1 44 418.557 3 ↓

Analogs

12442513
12442513
12442511
12442511
12442578
12442578

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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.58 10 -9.81 0 7 0 89 406.438 3 ↓
Mid Mid (pH 6-8) 4.58 12.76 -49.45 1 7 1 90 407.446 3 ↓

Analogs

12442513
12442513
12442511
12442511
12442578
12442578

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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.43 9.67 -6.48 0 4 0 43 440.337 2 ↓
Mid Mid (pH 6-8) 5.43 12.65 -43.99 1 4 1 44 441.345 2 ↓

Analogs

12442513
12442513
12442511
12442511

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Popular Name: (2Z)-8-cyclopentyl-2-[(3,4-dichlorophenyl)methylene]-4-methyl-7,9-dihydrofuro[2,3-f][1,3]benzoxazin- (2Z)-8-cyclopentyl-2-[(3,4-dichl…

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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) 5.91 10.28 -6.48 0 4 0 43 430.331 2 ↓
Mid Mid (pH 6-8) 5.91 13.04 -46.43 1 4 1 44 431.339 2 ↓

Analogs

12442511
12442511
12442513
12442513
12442578
12442578

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Popular Name: (2Z)-8-cyclopentyl-2-[(2,3-dimethoxyphenyl)methylene]-4-methyl-7,9-dihydrofuro[2,3-f][1,3]benzoxazin (2Z)-8-cyclopentyl-2-[(2,3-dimet…

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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) 4.44 8.4 -9.27 0 6 0 61 421.493 4 ↓
Mid Mid (pH 6-8) 4.44 11.38 -49.28 1 6 1 62 422.501 4 ↓

Analogs

12442511
12442511
12442513
12442513
12442578
12442578

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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.45 8.35 -9.77 0 7 0 70 451.519 5 ↓
Mid Mid (pH 6-8) 4.45 11.33 -51.05 1 7 1 72 452.527 5 ↓

Analogs

12442513
12442513
12442511
12442511
12442578
12442578

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Popular Name: (2Z)-8-cyclopentyl-2-[(4-dimethylaminophenyl)methylene]-4-methyl-7,9-dihydrofuro[2,3-f][1,3]benzoxaz (2Z)-8-cyclopentyl-2-[(4-dimethy…

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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) 4.73 9.48 -8.55 0 5 0 46 404.51 3 ↓
Mid Mid (pH 6-8) 4.73 12.42 -44.6 1 5 1 47 405.518 3 ↓
Lo Low (pH 4.5-6) 4.73 13.19 -106.1 2 5 0 48 406.526 3 ↓

Analogs

12442504
12442504
12442616
12442616
12442614
12442614

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Popular Name: (2Z)-8-cyclopentyl-2-(p-tolylmethylene)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-8-cyclopentyl-2-(p-tolylmet…

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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) 4.70 9.32 -7.32 0 4 0 43 361.441 2 ↓
Mid Mid (pH 6-8) 4.70 12.07 -43.99 1 4 1 44 362.449 2 ↓

Analogs

12442504
12442504
12442506
12442506
12442614
12442614

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

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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) 4.41 8.71 -7.35 0 4 0 43 365.404 2 ↓
Mid Mid (pH 6-8) 4.41 11.46 -44.98 1 4 1 44 366.412 2 ↓

Analogs

12442504
12442504
12442614
12442614
12442616
12442616

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Popular Name: (2Z)-2-[(4-chlorophenyl)methylene]-8-cyclopentyl-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) 4.92 9.16 -6.82 0 4 0 43 381.859 2 ↓
Mid Mid (pH 6-8) 4.92 11.91 -44.44 1 4 1 44 382.867 2 ↓

Analogs

12442504
12442504

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Popular Name: (2Z)-8-cyclopentyl-2-[(2,4-dichlorophenyl)methylene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-8-cyclopentyl-2-[(2,4-dichl…

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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) 5.53 9.34 -5.54 0 4 0 43 416.304 2 ↓
Mid Mid (pH 6-8) 5.53 12.32 -46.52 1 4 1 44 417.312 2 ↓

Analogs

12442504
12442504
8993000
8993000
12442616
12442616

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(2-chlorophenyl)methylene]-8-cyclopentyl-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (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) 4.88 8.83 -7.04 0 4 0 43 381.859 2 ↓
Mid Mid (pH 6-8) 4.88 11.81 -46.92 1 4 1 44 382.867 2 ↓

Analogs

12442504
12442504
12442506
12442506
13730208
13730208

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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.36 8.45 -7.62 0 4 0 43 365.404 2 ↓
Mid Mid (pH 6-8) 4.36 11.43 -47.82 1 4 1 44 366.412 2 ↓

Analogs

12442504
12442504
12442509
12442509
12442507
12442507

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Popular Name: (2Z)-8-cyclopentyl-2-[(2-methoxyphenyl)methylene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-8-cyclopentyl-2-[(2-methoxy…

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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) 4.26 7.77 -8.52 0 5 0 52 377.44 3 ↓
Mid Mid (pH 6-8) 4.26 10.75 -46.15 1 5 1 53 378.448 3 ↓

Analogs

12442612
12442612
12442507
12442507
12442509
12442509

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Popular Name: (2Z)-8-cyclopentyl-2-[(3,4-dimethoxyphenyl)methylene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-8-cyclopentyl-2-[(3,4-dimet…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.89 7.86 -10.25 0 6 0 61 407.466 4 ↓
Mid Mid (pH 6-8) 3.89 10.62 -49.31 1 6 1 62 408.474 4 ↓

Analogs

12442612
12442612
12442507
12442507
12442509
12442509

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Popular Name: (2Z)-8-cyclopentyl-2-[(3,4,5-trimethoxyphenyl)methylene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-8-cyclopentyl-2-[(3,4,5-tri…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.88 7.51 -11.07 0 7 0 70 437.492 5 ↓
Mid Mid (pH 6-8) 3.88 10.46 -51.32 1 7 1 72 438.5 5 ↓

Analogs

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Popular Name: (2Z)-2-[(2-chloro-6-fluoro-phenyl)methylene]-8-cyclopentyl-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-o (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) 4.99 8.88 -8.08 0 4 0 43 399.849 2 ↓
Mid Mid (pH 6-8) 4.99 11.86 -42.95 1 4 1 44 400.857 2 ↓

Analogs

12442504
12442504
12442509
12442509
12442507
12442507

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-8-cyclopentyl-2-[(2,4-dimethoxyphenyl)methylene]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one (2Z)-8-cyclopentyl-2-[(2,4-dimet…

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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 7.07 -9.03 0 6 0 61 407.466 4 ↓
Mid Mid (pH 6-8) 4.29 10.06 -48.2 1 6 1 62 408.474 4 ↓

Parameters Provided:

ring.id = 329208
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 = 329208 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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